USER MOD reduce.3.24.130724 H: found=0, std=0, add=798, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 798 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 37 ASN : amide:sc= -0.465 K(o=-0.62,f=-4!) USER MOD Set 1.2: A 38 MET CE :methyl 166:sc= -0.159 (180deg=-0.707) USER MOD Set 2.1: A 23 LYS NZ :NH3+ 175:sc= 2.23 (180deg=2.07) USER MOD Set 2.2: A 25 SER OG : rot 67:sc= 1.14 USER MOD Single : A 1 GLY N :NH3+ -123:sc= 0.0937 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= -1.74! C(o=-1.7!,f=-7!) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= -0.0306 K(o=-0.031,f=-2.5!) USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 21 CYS SG : rot 180:sc= 0 USER MOD Single : A 24 ASN :FLIP amide:sc= -0.125 F(o=-2.2!,f=-0.12) USER MOD Single : A 29 LYS NZ :NH3+ -178:sc= -0.738! (180deg=-0.864!) USER MOD Single : A 32 SER OG : rot 180:sc= 0.144 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= -1.96! C(o=-2!,f=-2.5!) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 128:sc= 1.24 (180deg=0.694) USER MOD Single : A 43 ASN : amide:sc= 0.632 K(o=0.63,f=0) USER MOD Single : A 49 THR OG1 : rot 160:sc= 1.32 USER MOD Single : A 54 ASN : amide:sc= 0.558 K(o=0.56,f=-0.13) USER MOD Single : A 55 GLN : amide:sc= 0.617 K(o=0.62,f=-0.35) USER MOD Single : A 57 GLN : amide:sc= -0.375 K(o=-0.38,f=-1.3) USER MOD Single : A 65 HIS : no HE2:sc= 0.645 K(o=0.64,f=-3.5!) USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.159 USER MOD Single : A 67 GLN :FLIP amide:sc= -0.0569 F(o=-1.2!,f=-0.057) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 GLN :FLIP amide:sc= -0.771 F(o=-5.3!,f=-0.77) USER MOD Single : A 71 LYS NZ :NH3+ 168:sc= -0.0507 (180deg=-0.227) USER MOD Single : A 74 GLN : amide:sc= -0.142 X(o=-0.14,f=-0.35) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 82 HIS : no HD1:sc=-0.00633 X(o=-0.0063,f=-0.0011) USER MOD Single : A 86 GLN : amide:sc= -0.0561 K(o=-0.056,f=-0.76) USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 HIS : no HE2:sc= 1.08 K(o=1.1,f=-5.5!) USER MOD Single : A 90 SER OG : rot 89:sc= 1.32 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= -0.0679 (180deg=-0.0679) USER MOD Single : A 96 SER OG : rot 180:sc= 0.0165 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 41:sc= 0.0712 USER MOD Single : A 101 LYS NZ :NH3+ -166:sc=-0.00928 (180deg=-0.163) USER MOD Single : A 104 SER OG : rot -41:sc= 0.472 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -28.035 -5.239 12.821 1.00 39.32 N ATOM 2 CA GLY A 1 -28.852 -6.283 13.485 1.00 39.39 C ATOM 3 C GLY A 1 -30.325 -6.140 13.165 1.00 39.02 C ATOM 4 O GLY A 1 -30.698 -5.302 12.346 1.00 38.60 O ATOM 0 H1 GLY A 1 -27.308 -5.691 12.230 1.00 39.32 H new ATOM 0 H2 GLY A 1 -28.647 -4.647 12.224 1.00 39.32 H new ATOM 0 H3 GLY A 1 -27.576 -4.646 13.542 1.00 39.32 H new ATOM 0 HA2 GLY A 1 -28.507 -7.268 13.171 1.00 39.39 H new ATOM 0 HA3 GLY A 1 -28.708 -6.224 14.564 1.00 39.39 H new ATOM 10 N PRO A 2 -31.185 -6.956 13.796 1.00 39.23 N ATOM 11 CA PRO A 2 -32.634 -6.905 13.584 1.00 38.99 C ATOM 12 C PRO A 2 -33.253 -5.620 14.133 1.00 38.70 C ATOM 13 O PRO A 2 -32.875 -5.147 15.208 1.00 39.16 O ATOM 14 CB PRO A 2 -33.169 -8.124 14.355 1.00 39.44 C ATOM 15 CG PRO A 2 -31.971 -8.955 14.671 1.00 39.88 C ATOM 16 CD PRO A 2 -30.819 -7.998 14.762 1.00 39.77 C ATOM 0 HA PRO A 2 -32.883 -6.919 12.523 1.00 38.99 H new ATOM 0 HB2 PRO A 2 -33.684 -7.817 15.265 1.00 39.44 H new ATOM 0 HB3 PRO A 2 -33.887 -8.683 13.755 1.00 39.44 H new ATOM 0 HG2 PRO A 2 -32.106 -9.494 15.609 1.00 39.88 H new ATOM 0 HG3 PRO A 2 -31.798 -9.702 13.896 1.00 39.88 H new ATOM 0 HD2 PRO A 2 -30.707 -7.595 15.768 1.00 39.77 H new ATOM 0 HD3 PRO A 2 -29.874 -8.476 14.503 1.00 39.77 H new ATOM 24 N LEU A 3 -34.209 -5.068 13.398 1.00 37.99 N ATOM 25 CA LEU A 3 -34.862 -3.826 13.790 1.00 37.71 C ATOM 26 C LEU A 3 -36.349 -4.059 14.006 1.00 36.95 C ATOM 27 O LEU A 3 -36.974 -3.448 14.870 1.00 36.88 O ATOM 28 CB LEU A 3 -34.661 -2.762 12.708 1.00 37.68 C ATOM 29 CG LEU A 3 -33.205 -2.460 12.355 1.00 38.25 C ATOM 30 CD1 LEU A 3 -33.140 -1.466 11.214 1.00 38.55 C ATOM 31 CD2 LEU A 3 -32.456 -1.931 13.566 1.00 38.67 C ATOM 0 H LEU A 3 -34.551 -5.463 12.522 1.00 37.99 H new ATOM 0 HA LEU A 3 -34.417 -3.479 14.722 1.00 37.71 H new ATOM 0 HB2 LEU A 3 -35.178 -3.084 11.804 1.00 37.68 H new ATOM 0 HB3 LEU A 3 -35.138 -1.838 13.036 1.00 37.68 H new ATOM 0 HG LEU A 3 -32.726 -3.387 12.039 1.00 38.25 H new ATOM 0 HD11 LEU A 3 -32.098 -1.258 10.971 1.00 38.55 H new ATOM 0 HD12 LEU A 3 -33.640 -1.882 10.340 1.00 38.55 H new ATOM 0 HD13 LEU A 3 -33.635 -0.541 11.509 1.00 38.55 H new ATOM 0 HD21 LEU A 3 -31.422 -1.723 13.292 1.00 38.67 H new ATOM 0 HD22 LEU A 3 -32.930 -1.014 13.915 1.00 38.67 H new ATOM 0 HD23 LEU A 3 -32.478 -2.676 14.361 1.00 38.67 H new ATOM 43 N GLY A 4 -36.903 -4.954 13.207 1.00 36.42 N ATOM 44 CA GLY A 4 -38.318 -5.223 13.252 1.00 35.70 C ATOM 45 C GLY A 4 -38.853 -5.514 11.868 1.00 35.18 C ATOM 46 O GLY A 4 -38.689 -4.706 10.955 1.00 34.80 O ATOM 0 H GLY A 4 -36.388 -5.505 12.520 1.00 36.42 H new ATOM 0 HA2 GLY A 4 -38.511 -6.072 13.907 1.00 35.70 H new ATOM 0 HA3 GLY A 4 -38.842 -4.367 13.677 1.00 35.70 H new ATOM 50 N SER A 5 -39.478 -6.663 11.700 1.00 35.22 N ATOM 51 CA SER A 5 -39.947 -7.073 10.385 1.00 34.83 C ATOM 52 C SER A 5 -41.441 -7.372 10.395 1.00 34.57 C ATOM 53 O SER A 5 -41.996 -7.838 9.403 1.00 34.37 O ATOM 54 CB SER A 5 -39.165 -8.303 9.925 1.00 34.91 C ATOM 55 OG SER A 5 -39.159 -9.309 10.931 1.00 35.05 O ATOM 0 H SER A 5 -39.673 -7.327 12.449 1.00 35.22 H new ATOM 0 HA SER A 5 -39.780 -6.251 9.689 1.00 34.83 H new ATOM 0 HB2 SER A 5 -39.608 -8.700 9.012 1.00 34.91 H new ATOM 0 HB3 SER A 5 -38.141 -8.018 9.684 1.00 34.91 H new ATOM 0 HG SER A 5 -38.654 -10.087 10.613 1.00 35.05 H new ATOM 61 N THR A 6 -42.095 -7.072 11.505 1.00 34.64 N ATOM 62 CA THR A 6 -43.496 -7.431 11.677 1.00 34.51 C ATOM 63 C THR A 6 -44.413 -6.224 11.448 1.00 33.81 C ATOM 64 O THR A 6 -45.639 -6.339 11.498 1.00 33.44 O ATOM 65 CB THR A 6 -43.733 -8.032 13.082 1.00 34.85 C ATOM 66 OG1 THR A 6 -42.741 -9.037 13.345 1.00 35.00 O ATOM 67 CG2 THR A 6 -45.122 -8.660 13.198 1.00 35.32 C ATOM 0 H THR A 6 -41.682 -6.583 12.299 1.00 34.64 H new ATOM 0 HA THR A 6 -43.742 -8.184 10.928 1.00 34.51 H new ATOM 0 HB THR A 6 -43.661 -7.224 13.810 1.00 34.85 H new ATOM 0 HG1 THR A 6 -42.889 -9.418 14.236 1.00 35.00 H new ATOM 0 HG21 THR A 6 -45.253 -9.072 14.199 1.00 35.32 H new ATOM 0 HG22 THR A 6 -45.881 -7.899 13.017 1.00 35.32 H new ATOM 0 HG23 THR A 6 -45.224 -9.457 12.461 1.00 35.32 H new ATOM 75 N SER A 7 -43.821 -5.066 11.188 1.00 33.71 N ATOM 76 CA SER A 7 -44.595 -3.862 10.922 1.00 33.13 C ATOM 77 C SER A 7 -45.509 -4.084 9.715 1.00 32.43 C ATOM 78 O SER A 7 -46.720 -3.864 9.800 1.00 32.42 O ATOM 79 CB SER A 7 -43.659 -2.675 10.681 1.00 33.49 C ATOM 80 OG SER A 7 -44.338 -1.447 10.861 1.00 33.98 O ATOM 0 H SER A 7 -42.810 -4.935 11.156 1.00 33.71 H new ATOM 0 HA SER A 7 -45.215 -3.638 11.790 1.00 33.13 H new ATOM 0 HB2 SER A 7 -42.813 -2.730 11.366 1.00 33.49 H new ATOM 0 HB3 SER A 7 -43.255 -2.726 9.670 1.00 33.49 H new ATOM 0 HG SER A 7 -43.718 -0.704 10.703 1.00 33.98 H new ATOM 86 N LEU A 8 -44.916 -4.545 8.609 1.00 31.93 N ATOM 87 CA LEU A 8 -45.655 -4.954 7.405 1.00 31.32 C ATOM 88 C LEU A 8 -46.349 -3.784 6.705 1.00 30.56 C ATOM 89 O LEU A 8 -45.913 -3.350 5.636 1.00 30.33 O ATOM 90 CB LEU A 8 -46.693 -6.030 7.749 1.00 31.31 C ATOM 91 CG LEU A 8 -46.119 -7.330 8.323 1.00 32.11 C ATOM 92 CD1 LEU A 8 -47.241 -8.274 8.722 1.00 32.24 C ATOM 93 CD2 LEU A 8 -45.193 -8.000 7.316 1.00 32.31 C ATOM 0 H LEU A 8 -43.905 -4.646 8.521 1.00 31.93 H new ATOM 0 HA LEU A 8 -44.914 -5.357 6.714 1.00 31.32 H new ATOM 0 HB2 LEU A 8 -47.399 -5.615 8.468 1.00 31.31 H new ATOM 0 HB3 LEU A 8 -47.259 -6.268 6.848 1.00 31.31 H new ATOM 0 HG LEU A 8 -45.538 -7.085 9.212 1.00 32.11 H new ATOM 0 HD11 LEU A 8 -46.817 -9.192 9.128 1.00 32.24 H new ATOM 0 HD12 LEU A 8 -47.866 -7.798 9.478 1.00 32.24 H new ATOM 0 HD13 LEU A 8 -47.847 -8.510 7.847 1.00 32.24 H new ATOM 0 HD21 LEU A 8 -44.796 -8.921 7.743 1.00 32.31 H new ATOM 0 HD22 LEU A 8 -45.750 -8.232 6.408 1.00 32.31 H new ATOM 0 HD23 LEU A 8 -44.370 -7.328 7.075 1.00 32.31 H new ATOM 105 N VAL A 9 -47.414 -3.281 7.322 1.00 30.24 N ATOM 106 CA VAL A 9 -48.273 -2.266 6.720 1.00 29.57 C ATOM 107 C VAL A 9 -48.894 -2.805 5.432 1.00 29.50 C ATOM 108 O VAL A 9 -48.470 -2.461 4.324 1.00 29.74 O ATOM 109 CB VAL A 9 -47.525 -0.937 6.441 1.00 29.39 C ATOM 110 CG1 VAL A 9 -48.492 0.140 5.972 1.00 28.95 C ATOM 111 CG2 VAL A 9 -46.774 -0.468 7.681 1.00 29.66 C ATOM 0 H VAL A 9 -47.707 -3.567 8.256 1.00 30.24 H new ATOM 0 HA VAL A 9 -49.058 -2.040 7.441 1.00 29.57 H new ATOM 0 HB VAL A 9 -46.801 -1.120 5.647 1.00 29.39 H new ATOM 0 HG11 VAL A 9 -47.944 1.063 5.783 1.00 28.95 H new ATOM 0 HG12 VAL A 9 -48.982 -0.186 5.055 1.00 28.95 H new ATOM 0 HG13 VAL A 9 -49.243 0.315 6.742 1.00 28.95 H new ATOM 0 HG21 VAL A 9 -46.257 0.466 7.462 1.00 29.66 H new ATOM 0 HG22 VAL A 9 -47.480 -0.309 8.496 1.00 29.66 H new ATOM 0 HG23 VAL A 9 -46.047 -1.225 7.974 1.00 29.66 H new ATOM 121 N GLN A 10 -49.884 -3.681 5.608 1.00 29.28 N ATOM 122 CA GLN A 10 -50.567 -4.366 4.508 1.00 29.30 C ATOM 123 C GLN A 10 -49.635 -5.333 3.781 1.00 28.60 C ATOM 124 O GLN A 10 -49.732 -6.550 3.955 1.00 28.70 O ATOM 125 CB GLN A 10 -51.188 -3.368 3.521 1.00 29.33 C ATOM 126 CG GLN A 10 -51.985 -4.025 2.398 1.00 29.73 C ATOM 127 CD GLN A 10 -53.212 -4.770 2.894 1.00 30.01 C ATOM 128 OE1 GLN A 10 -53.249 -5.261 4.019 1.00 30.47 O ATOM 129 NE2 GLN A 10 -54.224 -4.871 2.050 1.00 29.80 N ATOM 0 H GLN A 10 -50.239 -3.938 6.529 1.00 29.28 H new ATOM 0 HA GLN A 10 -51.375 -4.949 4.951 1.00 29.30 H new ATOM 0 HB2 GLN A 10 -51.842 -2.689 4.069 1.00 29.33 H new ATOM 0 HB3 GLN A 10 -50.394 -2.762 3.084 1.00 29.33 H new ATOM 0 HG2 GLN A 10 -52.295 -3.261 1.686 1.00 29.73 H new ATOM 0 HG3 GLN A 10 -51.339 -4.719 1.860 1.00 29.73 H new ATOM 0 HE21 GLN A 10 -54.159 -4.451 1.123 1.00 29.80 H new ATOM 0 HE22 GLN A 10 -55.070 -5.369 2.326 1.00 29.80 H new ATOM 138 N GLY A 11 -48.740 -4.797 2.973 1.00 27.99 N ATOM 139 CA GLY A 11 -47.831 -5.630 2.215 1.00 27.37 C ATOM 140 C GLY A 11 -48.251 -5.786 0.777 1.00 27.00 C ATOM 141 O GLY A 11 -49.436 -5.827 0.456 1.00 26.96 O ATOM 0 H GLY A 11 -48.624 -3.794 2.826 1.00 27.99 H new ATOM 0 HA2 GLY A 11 -46.831 -5.198 2.253 1.00 27.37 H new ATOM 0 HA3 GLY A 11 -47.771 -6.614 2.681 1.00 27.37 H new ATOM 145 N LEU A 12 -47.257 -5.872 -0.080 1.00 26.82 N ATOM 146 CA LEU A 12 -47.448 -6.017 -1.499 1.00 26.55 C ATOM 147 C LEU A 12 -46.228 -6.713 -2.049 1.00 25.80 C ATOM 148 O LEU A 12 -45.416 -7.238 -1.292 1.00 25.54 O ATOM 149 CB LEU A 12 -47.623 -4.651 -2.186 1.00 27.23 C ATOM 150 CG LEU A 12 -48.994 -3.993 -2.024 1.00 28.12 C ATOM 151 CD1 LEU A 12 -48.982 -2.596 -2.630 1.00 28.61 C ATOM 152 CD2 LEU A 12 -50.068 -4.856 -2.674 1.00 28.64 C ATOM 0 H LEU A 12 -46.276 -5.842 0.199 1.00 26.82 H new ATOM 0 HA LEU A 12 -48.353 -6.593 -1.690 1.00 26.55 H new ATOM 0 HB2 LEU A 12 -46.866 -3.970 -1.796 1.00 27.23 H new ATOM 0 HB3 LEU A 12 -47.424 -4.773 -3.251 1.00 27.23 H new ATOM 0 HG LEU A 12 -49.222 -3.902 -0.962 1.00 28.12 H new ATOM 0 HD11 LEU A 12 -49.964 -2.138 -2.508 1.00 28.61 H new ATOM 0 HD12 LEU A 12 -48.232 -1.987 -2.125 1.00 28.61 H new ATOM 0 HD13 LEU A 12 -48.741 -2.662 -3.691 1.00 28.61 H new ATOM 0 HD21 LEU A 12 -51.041 -4.379 -2.553 1.00 28.64 H new ATOM 0 HD22 LEU A 12 -49.849 -4.971 -3.736 1.00 28.64 H new ATOM 0 HD23 LEU A 12 -50.084 -5.837 -2.199 1.00 28.64 H new ATOM 164 N THR A 13 -46.095 -6.700 -3.346 1.00 25.53 N ATOM 165 CA THR A 13 -44.949 -7.309 -3.997 1.00 24.91 C ATOM 166 C THR A 13 -43.713 -6.388 -3.976 1.00 24.79 C ATOM 167 O THR A 13 -42.634 -6.828 -3.594 1.00 24.22 O ATOM 168 CB THR A 13 -45.283 -7.709 -5.444 1.00 24.58 C ATOM 169 OG1 THR A 13 -46.572 -8.339 -5.486 1.00 24.93 O ATOM 170 CG2 THR A 13 -44.234 -8.661 -5.981 1.00 24.35 C ATOM 0 H THR A 13 -46.766 -6.273 -3.984 1.00 25.53 H new ATOM 0 HA THR A 13 -44.706 -8.207 -3.429 1.00 24.91 H new ATOM 0 HB THR A 13 -45.296 -6.812 -6.063 1.00 24.58 H new ATOM 0 HG1 THR A 13 -46.783 -8.591 -6.409 1.00 24.93 H new ATOM 0 HG21 THR A 13 -44.483 -8.936 -7.006 1.00 24.35 H new ATOM 0 HG22 THR A 13 -43.258 -8.175 -5.962 1.00 24.35 H new ATOM 0 HG23 THR A 13 -44.205 -9.557 -5.362 1.00 24.35 H new ATOM 178 N PRO A 14 -43.840 -5.103 -4.390 1.00 25.42 N ATOM 179 CA PRO A 14 -42.709 -4.153 -4.404 1.00 25.50 C ATOM 180 C PRO A 14 -41.879 -4.101 -3.101 1.00 24.95 C ATOM 181 O PRO A 14 -40.667 -4.200 -3.169 1.00 24.63 O ATOM 182 CB PRO A 14 -43.383 -2.808 -4.687 1.00 26.39 C ATOM 183 CG PRO A 14 -44.595 -3.163 -5.474 1.00 26.81 C ATOM 184 CD PRO A 14 -45.071 -4.475 -4.921 1.00 26.21 C ATOM 0 HA PRO A 14 -41.967 -4.452 -5.144 1.00 25.50 H new ATOM 0 HB2 PRO A 14 -43.645 -2.292 -3.763 1.00 26.39 H new ATOM 0 HB3 PRO A 14 -42.725 -2.143 -5.247 1.00 26.39 H new ATOM 0 HG2 PRO A 14 -45.363 -2.396 -5.377 1.00 26.81 H new ATOM 0 HG3 PRO A 14 -44.361 -3.247 -6.535 1.00 26.81 H new ATOM 0 HD2 PRO A 14 -45.817 -4.332 -4.139 1.00 26.21 H new ATOM 0 HD3 PRO A 14 -45.533 -5.090 -5.693 1.00 26.21 H new ATOM 192 N PRO A 15 -42.490 -3.940 -1.898 1.00 24.93 N ATOM 193 CA PRO A 15 -41.722 -3.812 -0.645 1.00 24.50 C ATOM 194 C PRO A 15 -40.652 -4.908 -0.437 1.00 23.52 C ATOM 195 O PRO A 15 -39.472 -4.581 -0.288 1.00 23.07 O ATOM 196 CB PRO A 15 -42.795 -3.862 0.446 1.00 25.00 C ATOM 197 CG PRO A 15 -44.027 -3.367 -0.222 1.00 25.60 C ATOM 198 CD PRO A 15 -43.943 -3.840 -1.650 1.00 25.43 C ATOM 0 HA PRO A 15 -41.135 -2.893 -0.643 1.00 24.50 H new ATOM 0 HB2 PRO A 15 -42.929 -4.875 0.825 1.00 25.00 H new ATOM 0 HB3 PRO A 15 -42.526 -3.236 1.297 1.00 25.00 H new ATOM 0 HG2 PRO A 15 -44.920 -3.758 0.267 1.00 25.60 H new ATOM 0 HG3 PRO A 15 -44.087 -2.280 -0.174 1.00 25.60 H new ATOM 0 HD2 PRO A 15 -44.440 -4.801 -1.784 1.00 25.43 H new ATOM 0 HD3 PRO A 15 -44.419 -3.137 -2.334 1.00 25.43 H new ATOM 206 N PRO A 16 -41.012 -6.217 -0.424 1.00 23.25 N ATOM 207 CA PRO A 16 -40.027 -7.279 -0.213 1.00 22.42 C ATOM 208 C PRO A 16 -39.266 -7.675 -1.485 1.00 22.03 C ATOM 209 O PRO A 16 -38.136 -8.159 -1.409 1.00 22.10 O ATOM 210 CB PRO A 16 -40.881 -8.447 0.276 1.00 22.52 C ATOM 211 CG PRO A 16 -42.204 -8.252 -0.381 1.00 23.30 C ATOM 212 CD PRO A 16 -42.373 -6.769 -0.588 1.00 23.82 C ATOM 0 HA PRO A 16 -39.246 -6.964 0.479 1.00 22.42 H new ATOM 0 HB2 PRO A 16 -40.439 -9.404 -0.001 1.00 22.52 H new ATOM 0 HB3 PRO A 16 -40.974 -8.442 1.362 1.00 22.52 H new ATOM 0 HG2 PRO A 16 -42.245 -8.782 -1.332 1.00 23.30 H new ATOM 0 HG3 PRO A 16 -43.007 -8.650 0.240 1.00 23.30 H new ATOM 0 HD2 PRO A 16 -42.774 -6.549 -1.577 1.00 23.82 H new ATOM 0 HD3 PRO A 16 -43.065 -6.343 0.139 1.00 23.82 H new ATOM 220 N ASP A 17 -39.872 -7.457 -2.645 1.00 21.73 N ATOM 221 CA ASP A 17 -39.296 -7.915 -3.906 1.00 21.48 C ATOM 222 C ASP A 17 -38.800 -6.728 -4.728 1.00 20.70 C ATOM 223 O ASP A 17 -38.840 -6.738 -5.960 1.00 20.31 O ATOM 224 CB ASP A 17 -40.348 -8.708 -4.688 1.00 21.48 C ATOM 225 CG ASP A 17 -39.745 -9.683 -5.679 1.00 21.55 C ATOM 226 OD1 ASP A 17 -39.212 -10.723 -5.238 1.00 21.80 O ATOM 227 OD2 ASP A 17 -39.817 -9.431 -6.900 1.00 21.44 O ATOM 0 H ASP A 17 -40.761 -6.967 -2.741 1.00 21.73 H new ATOM 0 HA ASP A 17 -38.444 -8.561 -3.697 1.00 21.48 H new ATOM 0 HB2 ASP A 17 -40.977 -9.256 -3.986 1.00 21.48 H new ATOM 0 HB3 ASP A 17 -40.996 -8.012 -5.221 1.00 21.48 H new ATOM 232 N PHE A 18 -38.323 -5.705 -4.031 1.00 20.58 N ATOM 233 CA PHE A 18 -37.879 -4.483 -4.682 1.00 19.96 C ATOM 234 C PHE A 18 -36.498 -4.667 -5.295 1.00 19.47 C ATOM 235 O PHE A 18 -35.471 -4.429 -4.654 1.00 19.17 O ATOM 236 CB PHE A 18 -37.862 -3.314 -3.700 1.00 20.48 C ATOM 237 CG PHE A 18 -37.932 -1.973 -4.382 1.00 20.66 C ATOM 238 CD1 PHE A 18 -39.115 -1.549 -4.967 1.00 20.54 C ATOM 239 CD2 PHE A 18 -36.823 -1.144 -4.440 1.00 21.10 C ATOM 240 CE1 PHE A 18 -39.193 -0.322 -5.595 1.00 20.84 C ATOM 241 CE2 PHE A 18 -36.897 0.086 -5.068 1.00 21.40 C ATOM 242 CZ PHE A 18 -38.082 0.495 -5.648 1.00 21.27 C ATOM 0 H PHE A 18 -38.234 -5.699 -3.015 1.00 20.58 H new ATOM 0 HA PHE A 18 -38.588 -4.257 -5.478 1.00 19.96 H new ATOM 0 HB2 PHE A 18 -38.703 -3.411 -3.013 1.00 20.48 H new ATOM 0 HB3 PHE A 18 -36.953 -3.364 -3.100 1.00 20.48 H new ATOM 0 HD1 PHE A 18 -39.986 -2.186 -4.931 1.00 20.54 H new ATOM 0 HD2 PHE A 18 -35.893 -1.461 -3.991 1.00 21.10 H new ATOM 0 HE1 PHE A 18 -40.122 -0.002 -6.044 1.00 20.84 H new ATOM 0 HE2 PHE A 18 -36.028 0.727 -5.105 1.00 21.40 H new ATOM 0 HZ PHE A 18 -38.139 1.453 -6.143 1.00 21.27 H new ATOM 252 N ASN A 19 -36.490 -5.115 -6.536 1.00 19.51 N ATOM 253 CA ASN A 19 -35.258 -5.331 -7.276 1.00 19.22 C ATOM 254 C ASN A 19 -35.536 -5.219 -8.769 1.00 18.44 C ATOM 255 O ASN A 19 -36.689 -5.341 -9.176 1.00 18.17 O ATOM 256 CB ASN A 19 -34.676 -6.712 -6.942 1.00 19.70 C ATOM 257 CG ASN A 19 -33.320 -6.959 -7.583 1.00 20.22 C ATOM 258 OD1 ASN A 19 -32.532 -6.034 -7.787 1.00 20.50 O ATOM 259 ND2 ASN A 19 -33.041 -8.211 -7.915 1.00 20.47 N ATOM 0 H ASN A 19 -37.335 -5.340 -7.060 1.00 19.51 H new ATOM 0 HA ASN A 19 -34.529 -4.572 -6.992 1.00 19.22 H new ATOM 0 HB2 ASN A 19 -34.583 -6.808 -5.860 1.00 19.70 H new ATOM 0 HB3 ASN A 19 -35.373 -7.483 -7.272 1.00 19.70 H new ATOM 0 HD21 ASN A 19 -32.149 -8.435 -8.355 1.00 20.47 H new ATOM 0 HD22 ASN A 19 -33.719 -8.951 -7.730 1.00 20.47 H new ATOM 266 N GLN A 20 -34.474 -4.961 -9.545 1.00 18.18 N ATOM 267 CA GLN A 20 -34.490 -4.867 -11.021 1.00 17.53 C ATOM 268 C GLN A 20 -35.413 -3.769 -11.571 1.00 17.18 C ATOM 269 O GLN A 20 -34.965 -2.936 -12.351 1.00 16.92 O ATOM 270 CB GLN A 20 -34.771 -6.224 -11.706 1.00 17.65 C ATOM 271 CG GLN A 20 -36.166 -6.800 -11.488 1.00 18.17 C ATOM 272 CD GLN A 20 -36.307 -8.227 -11.981 1.00 18.45 C ATOM 273 OE1 GLN A 20 -35.643 -8.636 -12.931 1.00 18.40 O ATOM 274 NE2 GLN A 20 -37.166 -8.999 -11.332 1.00 18.86 N ATOM 0 H GLN A 20 -33.545 -4.806 -9.153 1.00 18.18 H new ATOM 0 HA GLN A 20 -33.474 -4.569 -11.280 1.00 17.53 H new ATOM 0 HB2 GLN A 20 -34.609 -6.109 -12.778 1.00 17.65 H new ATOM 0 HB3 GLN A 20 -34.039 -6.949 -11.349 1.00 17.65 H new ATOM 0 HG2 GLN A 20 -36.405 -6.764 -10.425 1.00 18.17 H new ATOM 0 HG3 GLN A 20 -36.895 -6.172 -12.000 1.00 18.17 H new ATOM 0 HE21 GLN A 20 -37.699 -8.622 -10.548 1.00 18.86 H new ATOM 0 HE22 GLN A 20 -37.295 -9.970 -11.616 1.00 18.86 H new ATOM 283 N CYS A 21 -36.682 -3.791 -11.196 1.00 17.29 N ATOM 284 CA CYS A 21 -37.678 -2.800 -11.637 1.00 17.13 C ATOM 285 C CYS A 21 -37.880 -2.816 -13.162 1.00 16.75 C ATOM 286 O CYS A 21 -38.617 -1.993 -13.703 1.00 16.28 O ATOM 287 CB CYS A 21 -37.275 -1.398 -11.169 1.00 16.85 C ATOM 288 SG CYS A 21 -37.011 -1.258 -9.388 1.00 17.55 S ATOM 0 H CYS A 21 -37.064 -4.501 -10.571 1.00 17.29 H new ATOM 0 HA CYS A 21 -38.630 -3.073 -11.182 1.00 17.13 H new ATOM 0 HB2 CYS A 21 -36.361 -1.104 -11.684 1.00 16.85 H new ATOM 0 HB3 CYS A 21 -38.050 -0.691 -11.467 1.00 16.85 H new ATOM 0 HG CYS A 21 -36.672 -0.038 -9.094 1.00 17.55 H new ATOM 294 N LEU A 22 -37.205 -3.753 -13.839 1.00 17.08 N ATOM 295 CA LEU A 22 -37.332 -3.952 -15.294 1.00 16.96 C ATOM 296 C LEU A 22 -36.902 -2.718 -16.081 1.00 16.12 C ATOM 297 O LEU A 22 -37.122 -2.632 -17.286 1.00 16.24 O ATOM 298 CB LEU A 22 -38.767 -4.349 -15.683 1.00 17.70 C ATOM 299 CG LEU A 22 -39.229 -5.736 -15.215 1.00 18.56 C ATOM 300 CD1 LEU A 22 -38.205 -6.795 -15.597 1.00 18.72 C ATOM 301 CD2 LEU A 22 -39.507 -5.742 -13.715 1.00 19.08 C ATOM 0 H LEU A 22 -36.552 -4.398 -13.394 1.00 17.08 H new ATOM 0 HA LEU A 22 -36.659 -4.769 -15.554 1.00 16.96 H new ATOM 0 HB2 LEU A 22 -39.452 -3.604 -15.279 1.00 17.70 H new ATOM 0 HB3 LEU A 22 -38.854 -4.306 -16.769 1.00 17.70 H new ATOM 0 HG LEU A 22 -40.164 -5.977 -15.720 1.00 18.56 H new ATOM 0 HD11 LEU A 22 -38.548 -7.772 -15.258 1.00 18.72 H new ATOM 0 HD12 LEU A 22 -38.083 -6.809 -16.680 1.00 18.72 H new ATOM 0 HD13 LEU A 22 -37.249 -6.563 -15.127 1.00 18.72 H new ATOM 0 HD21 LEU A 22 -39.833 -6.736 -13.409 1.00 19.08 H new ATOM 0 HD22 LEU A 22 -38.598 -5.476 -13.175 1.00 19.08 H new ATOM 0 HD23 LEU A 22 -40.289 -5.018 -13.487 1.00 19.08 H new ATOM 313 N LYS A 23 -36.262 -1.785 -15.396 1.00 15.37 N ATOM 314 CA LYS A 23 -35.797 -0.551 -16.011 1.00 14.61 C ATOM 315 C LYS A 23 -34.549 -0.776 -16.843 1.00 14.25 C ATOM 316 O LYS A 23 -34.279 -0.017 -17.771 1.00 13.68 O ATOM 317 CB LYS A 23 -35.510 0.468 -14.910 1.00 14.14 C ATOM 318 CG LYS A 23 -35.061 -0.191 -13.613 1.00 14.53 C ATOM 319 CD LYS A 23 -33.559 -0.419 -13.554 1.00 14.23 C ATOM 320 CE LYS A 23 -32.789 0.893 -13.460 1.00 14.39 C ATOM 321 NZ LYS A 23 -31.323 0.673 -13.318 1.00 14.38 N ATOM 0 H LYS A 23 -36.050 -1.860 -14.401 1.00 15.37 H new ATOM 0 HA LYS A 23 -36.574 -0.181 -16.680 1.00 14.61 H new ATOM 0 HB2 LYS A 23 -34.738 1.159 -15.250 1.00 14.14 H new ATOM 0 HB3 LYS A 23 -36.407 1.059 -14.723 1.00 14.14 H new ATOM 0 HG2 LYS A 23 -35.362 0.433 -12.771 1.00 14.53 H new ATOM 0 HG3 LYS A 23 -35.573 -1.147 -13.501 1.00 14.53 H new ATOM 0 HD2 LYS A 23 -33.320 -1.043 -12.693 1.00 14.23 H new ATOM 0 HD3 LYS A 23 -33.239 -0.965 -14.442 1.00 14.23 H new ATOM 0 HE2 LYS A 23 -32.981 1.490 -14.351 1.00 14.39 H new ATOM 0 HE3 LYS A 23 -33.153 1.466 -12.608 1.00 14.39 H new ATOM 0 HZ1 LYS A 23 -30.831 1.589 -13.343 1.00 14.38 H new ATOM 0 HZ2 LYS A 23 -31.129 0.200 -12.412 1.00 14.38 H new ATOM 0 HZ3 LYS A 23 -30.984 0.077 -14.100 1.00 14.38 H new ATOM 335 N ASN A 24 -33.813 -1.839 -16.519 1.00 14.73 N ATOM 336 CA ASN A 24 -32.460 -2.042 -17.039 1.00 14.67 C ATOM 337 C ASN A 24 -31.572 -0.911 -16.546 1.00 13.87 C ATOM 338 O ASN A 24 -30.879 -1.052 -15.543 1.00 14.11 O ATOM 339 CB ASN A 24 -32.413 -2.097 -18.575 1.00 14.94 C ATOM 340 CG ASN A 24 -33.143 -3.284 -19.190 1.00 15.80 C ATOM 341 OD1 ASN A 24 -34.276 -3.679 -18.626 1.00 16.18 O flip ATOM 342 ND2 ASN A 24 -32.700 -3.822 -20.199 1.00 16.23 N flip ATOM 0 H ASN A 24 -34.134 -2.578 -15.894 1.00 14.73 H new ATOM 0 HA ASN A 24 -32.107 -3.007 -16.675 1.00 14.67 H new ATOM 0 HB2 ASN A 24 -32.843 -1.177 -18.972 1.00 14.94 H new ATOM 0 HB3 ASN A 24 -31.371 -2.124 -18.893 1.00 14.94 H new ATOM 0 HD21 ASN A 24 -31.825 -3.495 -20.609 1.00 16.23 H new ATOM 0 HD22 ASN A 24 -33.206 -4.597 -20.628 1.00 16.23 H new ATOM 349 N SER A 25 -31.690 0.222 -17.231 1.00 13.05 N ATOM 350 CA SER A 25 -30.955 1.450 -16.953 1.00 12.28 C ATOM 351 C SER A 25 -31.246 2.439 -18.072 1.00 12.15 C ATOM 352 O SER A 25 -30.608 2.406 -19.120 1.00 12.30 O ATOM 353 CB SER A 25 -29.446 1.212 -16.841 1.00 12.37 C ATOM 354 OG SER A 25 -29.070 0.877 -15.512 1.00 12.97 O ATOM 0 H SER A 25 -32.324 0.313 -18.025 1.00 13.05 H new ATOM 0 HA SER A 25 -31.282 1.842 -15.990 1.00 12.28 H new ATOM 0 HB2 SER A 25 -29.152 0.409 -17.517 1.00 12.37 H new ATOM 0 HB3 SER A 25 -28.911 2.107 -17.157 1.00 12.37 H new ATOM 0 HG SER A 25 -29.440 0.000 -15.278 1.00 12.97 H new ATOM 360 N PRO A 26 -32.269 3.283 -17.883 1.00 12.10 N ATOM 361 CA PRO A 26 -32.717 4.235 -18.907 1.00 12.18 C ATOM 362 C PRO A 26 -31.611 5.187 -19.358 1.00 11.48 C ATOM 363 O PRO A 26 -31.367 5.341 -20.555 1.00 11.60 O ATOM 364 CB PRO A 26 -33.837 5.012 -18.213 1.00 12.53 C ATOM 365 CG PRO A 26 -34.296 4.125 -17.111 1.00 12.59 C ATOM 366 CD PRO A 26 -33.078 3.375 -16.659 1.00 12.23 C ATOM 0 HA PRO A 26 -33.032 3.722 -19.816 1.00 12.18 H new ATOM 0 HB2 PRO A 26 -33.476 5.965 -17.828 1.00 12.53 H new ATOM 0 HB3 PRO A 26 -34.650 5.235 -18.904 1.00 12.53 H new ATOM 0 HG2 PRO A 26 -34.724 4.706 -16.294 1.00 12.59 H new ATOM 0 HG3 PRO A 26 -35.071 3.441 -17.456 1.00 12.59 H new ATOM 0 HD2 PRO A 26 -32.550 3.904 -15.866 1.00 12.23 H new ATOM 0 HD3 PRO A 26 -33.333 2.389 -16.269 1.00 12.23 H new ATOM 374 N ASP A 27 -30.952 5.823 -18.397 1.00 10.92 N ATOM 375 CA ASP A 27 -29.877 6.755 -18.701 1.00 10.34 C ATOM 376 C ASP A 27 -28.866 6.744 -17.556 1.00 9.92 C ATOM 377 O ASP A 27 -27.771 6.213 -17.716 1.00 10.16 O ATOM 378 CB ASP A 27 -30.447 8.159 -18.949 1.00 10.24 C ATOM 379 CG ASP A 27 -29.542 9.023 -19.803 1.00 10.06 C ATOM 380 OD1 ASP A 27 -28.370 8.641 -20.011 1.00 10.17 O ATOM 381 OD2 ASP A 27 -29.984 10.081 -20.281 1.00 9.96 O ATOM 0 H ASP A 27 -31.144 5.709 -17.402 1.00 10.92 H new ATOM 0 HA ASP A 27 -29.364 6.450 -19.613 1.00 10.34 H new ATOM 0 HB2 ASP A 27 -31.419 8.070 -19.434 1.00 10.24 H new ATOM 0 HB3 ASP A 27 -30.613 8.652 -17.991 1.00 10.24 H new ATOM 386 N GLU A 28 -29.269 7.323 -16.410 1.00 9.51 N ATOM 387 CA GLU A 28 -28.557 7.220 -15.123 1.00 9.33 C ATOM 388 C GLU A 28 -27.050 6.973 -15.245 1.00 8.90 C ATOM 389 O GLU A 28 -26.549 5.901 -14.908 1.00 9.13 O ATOM 390 CB GLU A 28 -29.218 6.147 -14.248 1.00 10.13 C ATOM 391 CG GLU A 28 -29.461 4.825 -14.963 1.00 10.77 C ATOM 392 CD GLU A 28 -30.281 3.856 -14.139 1.00 11.21 C ATOM 393 OE1 GLU A 28 -31.482 4.112 -13.917 1.00 11.54 O ATOM 394 OE2 GLU A 28 -29.720 2.837 -13.687 1.00 11.40 O ATOM 0 H GLU A 28 -30.117 7.887 -16.352 1.00 9.51 H new ATOM 0 HA GLU A 28 -28.644 8.198 -14.650 1.00 9.33 H new ATOM 0 HB2 GLU A 28 -28.589 5.966 -13.376 1.00 10.13 H new ATOM 0 HB3 GLU A 28 -30.170 6.529 -13.880 1.00 10.13 H new ATOM 0 HG2 GLU A 28 -29.972 5.016 -15.907 1.00 10.77 H new ATOM 0 HG3 GLU A 28 -28.502 4.367 -15.207 1.00 10.77 H new ATOM 401 N LYS A 29 -26.331 7.978 -15.724 1.00 8.50 N ATOM 402 CA LYS A 29 -24.879 7.895 -15.805 1.00 8.24 C ATOM 403 C LYS A 29 -24.252 8.895 -14.844 1.00 7.81 C ATOM 404 O LYS A 29 -23.031 8.972 -14.719 1.00 7.74 O ATOM 405 CB LYS A 29 -24.383 8.133 -17.233 1.00 8.29 C ATOM 406 CG LYS A 29 -24.643 9.532 -17.765 1.00 8.34 C ATOM 407 CD LYS A 29 -26.049 9.693 -18.302 1.00 8.62 C ATOM 408 CE LYS A 29 -26.154 10.966 -19.113 1.00 8.72 C ATOM 409 NZ LYS A 29 -27.525 11.236 -19.597 1.00 9.11 N ATOM 0 H LYS A 29 -26.726 8.856 -16.061 1.00 8.50 H new ATOM 0 HA LYS A 29 -24.577 6.887 -15.520 1.00 8.24 H new ATOM 0 HB2 LYS A 29 -23.311 7.938 -17.269 1.00 8.29 H new ATOM 0 HB3 LYS A 29 -24.861 7.411 -17.895 1.00 8.29 H new ATOM 0 HG2 LYS A 29 -24.476 10.257 -16.969 1.00 8.34 H new ATOM 0 HG3 LYS A 29 -23.927 9.756 -18.556 1.00 8.34 H new ATOM 0 HD2 LYS A 29 -26.310 8.835 -18.922 1.00 8.62 H new ATOM 0 HD3 LYS A 29 -26.761 9.719 -17.477 1.00 8.62 H new ATOM 0 HE2 LYS A 29 -25.818 11.806 -18.504 1.00 8.72 H new ATOM 0 HE3 LYS A 29 -25.480 10.902 -19.967 1.00 8.72 H new ATOM 0 HZ1 LYS A 29 -27.526 12.102 -20.173 1.00 9.11 H new ATOM 0 HZ2 LYS A 29 -27.853 10.436 -20.174 1.00 9.11 H new ATOM 0 HZ3 LYS A 29 -28.162 11.361 -18.784 1.00 9.11 H new ATOM 423 N PHE A 30 -25.119 9.679 -14.201 1.00 7.78 N ATOM 424 CA PHE A 30 -24.748 10.606 -13.121 1.00 7.70 C ATOM 425 C PHE A 30 -24.009 11.854 -13.624 1.00 7.44 C ATOM 426 O PHE A 30 -24.351 12.971 -13.238 1.00 7.61 O ATOM 427 CB PHE A 30 -23.915 9.893 -12.044 1.00 7.98 C ATOM 428 CG PHE A 30 -23.633 10.746 -10.843 1.00 8.78 C ATOM 429 CD1 PHE A 30 -24.614 10.956 -9.887 1.00 9.03 C ATOM 430 CD2 PHE A 30 -22.391 11.335 -10.666 1.00 9.49 C ATOM 431 CE1 PHE A 30 -24.364 11.741 -8.781 1.00 9.98 C ATOM 432 CE2 PHE A 30 -22.134 12.121 -9.560 1.00 10.39 C ATOM 433 CZ PHE A 30 -23.122 12.323 -8.616 1.00 10.64 C ATOM 0 H PHE A 30 -26.116 9.691 -14.417 1.00 7.78 H new ATOM 0 HA PHE A 30 -25.685 10.948 -12.682 1.00 7.70 H new ATOM 0 HB2 PHE A 30 -24.442 8.993 -11.725 1.00 7.98 H new ATOM 0 HB3 PHE A 30 -22.970 9.571 -12.481 1.00 7.98 H new ATOM 0 HD1 PHE A 30 -25.585 10.500 -10.009 1.00 9.03 H new ATOM 0 HD2 PHE A 30 -21.616 11.178 -11.401 1.00 9.49 H new ATOM 0 HE1 PHE A 30 -25.138 11.901 -8.045 1.00 9.98 H new ATOM 0 HE2 PHE A 30 -21.163 12.577 -9.433 1.00 10.39 H new ATOM 0 HZ PHE A 30 -22.924 12.936 -7.749 1.00 10.64 H new ATOM 443 N PHE A 31 -23.028 11.676 -14.505 1.00 7.30 N ATOM 444 CA PHE A 31 -22.143 12.763 -14.907 1.00 7.33 C ATOM 445 C PHE A 31 -22.654 13.403 -16.180 1.00 7.51 C ATOM 446 O PHE A 31 -21.952 14.181 -16.819 1.00 7.81 O ATOM 447 CB PHE A 31 -20.723 12.241 -15.135 1.00 7.36 C ATOM 448 CG PHE A 31 -20.095 11.588 -13.933 1.00 7.57 C ATOM 449 CD1 PHE A 31 -19.488 12.356 -12.949 1.00 7.70 C ATOM 450 CD2 PHE A 31 -20.119 10.210 -13.780 1.00 7.97 C ATOM 451 CE1 PHE A 31 -18.918 11.761 -11.839 1.00 8.21 C ATOM 452 CE2 PHE A 31 -19.550 9.612 -12.673 1.00 8.50 C ATOM 453 CZ PHE A 31 -18.921 10.376 -11.722 1.00 8.62 C ATOM 0 H PHE A 31 -22.826 10.784 -14.956 1.00 7.30 H new ATOM 0 HA PHE A 31 -22.125 13.505 -14.109 1.00 7.33 H new ATOM 0 HB2 PHE A 31 -20.741 11.522 -15.954 1.00 7.36 H new ATOM 0 HB3 PHE A 31 -20.092 13.071 -15.453 1.00 7.36 H new ATOM 0 HD1 PHE A 31 -19.461 13.431 -13.052 1.00 7.70 H new ATOM 0 HD2 PHE A 31 -20.588 9.597 -14.536 1.00 7.97 H new ATOM 0 HE1 PHE A 31 -18.472 12.370 -11.066 1.00 8.21 H new ATOM 0 HE2 PHE A 31 -19.600 8.540 -12.555 1.00 8.50 H new ATOM 0 HZ PHE A 31 -18.430 9.902 -10.885 1.00 8.62 H new ATOM 463 N SER A 32 -23.883 13.037 -16.529 1.00 7.60 N ATOM 464 CA SER A 32 -24.582 13.543 -17.690 1.00 8.12 C ATOM 465 C SER A 32 -23.727 13.488 -18.956 1.00 8.57 C ATOM 466 O SER A 32 -23.647 12.451 -19.612 1.00 9.15 O ATOM 467 CB SER A 32 -25.126 14.950 -17.432 1.00 8.65 C ATOM 468 OG SER A 32 -24.117 15.857 -17.022 1.00 9.33 O ATOM 0 H SER A 32 -24.429 12.362 -15.994 1.00 7.60 H new ATOM 0 HA SER A 32 -25.431 12.883 -17.867 1.00 8.12 H new ATOM 0 HB2 SER A 32 -25.599 15.325 -18.340 1.00 8.65 H new ATOM 0 HB3 SER A 32 -25.899 14.902 -16.666 1.00 8.65 H new ATOM 0 HG SER A 32 -24.513 16.741 -16.871 1.00 9.33 H new ATOM 474 N ASP A 33 -23.070 14.581 -19.279 1.00 8.53 N ATOM 475 CA ASP A 33 -22.323 14.659 -20.515 1.00 9.12 C ATOM 476 C ASP A 33 -21.030 15.427 -20.323 1.00 9.48 C ATOM 477 O ASP A 33 -20.518 16.050 -21.250 1.00 10.03 O ATOM 478 CB ASP A 33 -23.198 15.281 -21.604 1.00 9.83 C ATOM 479 CG ASP A 33 -23.715 16.668 -21.259 1.00 10.39 C ATOM 480 OD1 ASP A 33 -22.985 17.658 -21.467 1.00 10.73 O ATOM 481 OD2 ASP A 33 -24.875 16.777 -20.809 1.00 10.68 O ATOM 0 H ASP A 33 -23.038 15.424 -18.706 1.00 8.53 H new ATOM 0 HA ASP A 33 -22.047 13.653 -20.830 1.00 9.12 H new ATOM 0 HB2 ASP A 33 -22.625 15.337 -22.529 1.00 9.83 H new ATOM 0 HB3 ASP A 33 -24.047 14.624 -21.794 1.00 9.83 H new ATOM 486 N PHE A 34 -20.470 15.321 -19.119 1.00 9.37 N ATOM 487 CA PHE A 34 -19.188 15.948 -18.798 1.00 9.94 C ATOM 488 C PHE A 34 -18.017 15.120 -19.341 1.00 9.93 C ATOM 489 O PHE A 34 -16.954 15.048 -18.717 1.00 10.33 O ATOM 490 CB PHE A 34 -19.055 16.117 -17.278 1.00 9.89 C ATOM 491 CG PHE A 34 -20.087 17.029 -16.672 1.00 10.10 C ATOM 492 CD1 PHE A 34 -20.378 18.262 -17.246 1.00 10.53 C ATOM 493 CD2 PHE A 34 -20.762 16.654 -15.520 1.00 10.09 C ATOM 494 CE1 PHE A 34 -21.325 19.094 -16.686 1.00 10.95 C ATOM 495 CE2 PHE A 34 -21.711 17.485 -14.954 1.00 10.50 C ATOM 496 CZ PHE A 34 -21.992 18.705 -15.538 1.00 10.92 C ATOM 0 H PHE A 34 -20.887 14.804 -18.345 1.00 9.37 H new ATOM 0 HA PHE A 34 -19.158 16.928 -19.274 1.00 9.94 H new ATOM 0 HB2 PHE A 34 -19.128 15.137 -16.806 1.00 9.89 H new ATOM 0 HB3 PHE A 34 -18.063 16.507 -17.051 1.00 9.89 H new ATOM 0 HD1 PHE A 34 -19.857 18.571 -18.140 1.00 10.53 H new ATOM 0 HD2 PHE A 34 -20.544 15.702 -15.060 1.00 10.09 H new ATOM 0 HE1 PHE A 34 -21.545 20.047 -17.143 1.00 10.95 H new ATOM 0 HE2 PHE A 34 -22.231 17.181 -14.058 1.00 10.50 H new ATOM 0 HZ PHE A 34 -22.733 19.356 -15.098 1.00 10.92 H new ATOM 506 N SER A 35 -18.218 14.509 -20.512 1.00 9.65 N ATOM 507 CA SER A 35 -17.191 13.696 -21.163 1.00 9.74 C ATOM 508 C SER A 35 -16.780 12.504 -20.294 1.00 9.44 C ATOM 509 O SER A 35 -15.666 11.999 -20.404 1.00 9.50 O ATOM 510 CB SER A 35 -15.975 14.560 -21.490 1.00 10.04 C ATOM 511 OG SER A 35 -16.319 15.583 -22.412 1.00 10.16 O ATOM 0 H SER A 35 -19.094 14.564 -21.032 1.00 9.65 H new ATOM 0 HA SER A 35 -17.611 13.299 -22.087 1.00 9.74 H new ATOM 0 HB2 SER A 35 -15.582 15.005 -20.576 1.00 10.04 H new ATOM 0 HB3 SER A 35 -15.183 13.939 -21.908 1.00 10.04 H new ATOM 0 HG SER A 35 -15.528 16.127 -22.608 1.00 10.16 H new ATOM 517 N ASN A 36 -17.699 12.049 -19.450 1.00 9.30 N ATOM 518 CA ASN A 36 -17.449 10.921 -18.555 1.00 9.24 C ATOM 519 C ASN A 36 -17.423 9.602 -19.308 1.00 8.77 C ATOM 520 O ASN A 36 -16.864 8.617 -18.811 1.00 8.94 O ATOM 521 CB ASN A 36 -18.524 10.869 -17.469 1.00 9.46 C ATOM 522 CG ASN A 36 -19.918 10.643 -18.036 1.00 10.11 C ATOM 523 OD1 ASN A 36 -20.581 11.583 -18.467 1.00 10.51 O ATOM 524 ND2 ASN A 36 -20.385 9.399 -18.017 1.00 10.41 N ATOM 0 H ASN A 36 -18.634 12.448 -19.365 1.00 9.30 H new ATOM 0 HA ASN A 36 -16.470 11.070 -18.100 1.00 9.24 H new ATOM 0 HB2 ASN A 36 -18.287 10.070 -16.767 1.00 9.46 H new ATOM 0 HB3 ASN A 36 -18.512 11.802 -16.906 1.00 9.46 H new ATOM 0 HD21 ASN A 36 -21.322 9.201 -18.368 1.00 10.41 H new ATOM 0 HD22 ASN A 36 -19.806 8.643 -17.652 1.00 10.41 H new ATOM 531 N ASN A 37 -18.040 9.591 -20.493 1.00 8.43 N ATOM 532 CA ASN A 37 -18.140 8.395 -21.337 1.00 8.29 C ATOM 533 C ASN A 37 -19.038 7.351 -20.675 1.00 7.88 C ATOM 534 O ASN A 37 -20.135 7.069 -21.154 1.00 7.92 O ATOM 535 CB ASN A 37 -16.748 7.805 -21.618 1.00 8.59 C ATOM 536 CG ASN A 37 -16.752 6.703 -22.665 1.00 9.45 C ATOM 537 OD1 ASN A 37 -17.722 5.967 -22.822 1.00 9.82 O ATOM 538 ND2 ASN A 37 -15.648 6.582 -23.380 1.00 10.00 N ATOM 0 H ASN A 37 -18.486 10.415 -20.896 1.00 8.43 H new ATOM 0 HA ASN A 37 -18.585 8.685 -22.289 1.00 8.29 H new ATOM 0 HB2 ASN A 37 -16.084 8.604 -21.947 1.00 8.59 H new ATOM 0 HB3 ASN A 37 -16.336 7.410 -20.689 1.00 8.59 H new ATOM 0 HD21 ASN A 37 -15.580 5.856 -24.094 1.00 10.00 H new ATOM 0 HD22 ASN A 37 -14.864 7.214 -23.218 1.00 10.00 H new ATOM 545 N MET A 38 -18.578 6.816 -19.553 1.00 7.75 N ATOM 546 CA MET A 38 -19.316 5.788 -18.826 1.00 7.70 C ATOM 547 C MET A 38 -18.852 5.715 -17.374 1.00 7.11 C ATOM 548 O MET A 38 -19.380 4.936 -16.579 1.00 7.09 O ATOM 549 CB MET A 38 -19.157 4.417 -19.493 1.00 8.48 C ATOM 550 CG MET A 38 -17.721 3.915 -19.533 1.00 9.45 C ATOM 551 SD MET A 38 -17.580 2.275 -20.271 1.00 10.41 S ATOM 552 CE MET A 38 -18.208 2.590 -21.920 1.00 10.82 C ATOM 0 H MET A 38 -17.691 7.078 -19.122 1.00 7.75 H new ATOM 0 HA MET A 38 -20.371 6.063 -18.847 1.00 7.70 H new ATOM 0 HB2 MET A 38 -19.771 3.691 -18.960 1.00 8.48 H new ATOM 0 HB3 MET A 38 -19.541 4.472 -20.512 1.00 8.48 H new ATOM 0 HG2 MET A 38 -17.110 4.618 -20.099 1.00 9.45 H new ATOM 0 HG3 MET A 38 -17.321 3.889 -18.520 1.00 9.45 H new ATOM 0 HE1 MET A 38 -17.959 1.752 -22.571 1.00 10.82 H new ATOM 0 HE2 MET A 38 -19.291 2.709 -21.880 1.00 10.82 H new ATOM 0 HE3 MET A 38 -17.757 3.501 -22.313 1.00 10.82 H new ATOM 562 N GLY A 39 -17.851 6.527 -17.037 1.00 6.94 N ATOM 563 CA GLY A 39 -17.326 6.542 -15.689 1.00 6.72 C ATOM 564 C GLY A 39 -16.302 5.451 -15.468 1.00 6.82 C ATOM 565 O GLY A 39 -15.154 5.739 -15.139 1.00 7.22 O ATOM 0 H GLY A 39 -17.396 7.175 -17.679 1.00 6.94 H new ATOM 0 HA2 GLY A 39 -16.872 7.512 -15.488 1.00 6.72 H new ATOM 0 HA3 GLY A 39 -18.145 6.420 -14.980 1.00 6.72 H new ATOM 569 N SER A 40 -16.726 4.205 -15.671 1.00 6.70 N ATOM 570 CA SER A 40 -15.892 3.025 -15.458 1.00 7.03 C ATOM 571 C SER A 40 -15.590 2.816 -13.983 1.00 6.75 C ATOM 572 O SER A 40 -15.155 3.728 -13.278 1.00 7.15 O ATOM 573 CB SER A 40 -14.585 3.103 -16.243 1.00 7.71 C ATOM 574 OG SER A 40 -14.829 3.229 -17.634 1.00 7.71 O ATOM 0 H SER A 40 -17.669 3.985 -15.992 1.00 6.70 H new ATOM 0 HA SER A 40 -16.464 2.172 -15.825 1.00 7.03 H new ATOM 0 HB2 SER A 40 -13.999 3.954 -15.895 1.00 7.71 H new ATOM 0 HB3 SER A 40 -13.991 2.209 -16.055 1.00 7.71 H new ATOM 0 HG SER A 40 -13.975 3.279 -18.113 1.00 7.71 H new ATOM 580 N ARG A 41 -15.817 1.608 -13.519 1.00 6.32 N ATOM 581 CA ARG A 41 -15.515 1.265 -12.147 1.00 6.15 C ATOM 582 C ARG A 41 -14.127 0.648 -12.053 1.00 6.66 C ATOM 583 O ARG A 41 -13.958 -0.565 -12.157 1.00 6.86 O ATOM 584 CB ARG A 41 -16.583 0.337 -11.545 1.00 5.64 C ATOM 585 CG ARG A 41 -17.411 -0.458 -12.555 1.00 5.83 C ATOM 586 CD ARG A 41 -16.580 -1.497 -13.295 1.00 6.30 C ATOM 587 NE ARG A 41 -17.373 -2.237 -14.282 1.00 6.60 N ATOM 588 CZ ARG A 41 -16.880 -3.181 -15.086 1.00 7.29 C ATOM 589 NH1 ARG A 41 -15.611 -3.553 -14.971 1.00 7.72 N ATOM 590 NH2 ARG A 41 -17.669 -3.775 -15.974 1.00 7.82 N ATOM 0 H ARG A 41 -16.210 0.846 -14.071 1.00 6.32 H new ATOM 0 HA ARG A 41 -15.525 2.182 -11.558 1.00 6.15 H new ATOM 0 HB2 ARG A 41 -16.091 -0.365 -10.872 1.00 5.64 H new ATOM 0 HB3 ARG A 41 -17.261 0.938 -10.939 1.00 5.64 H new ATOM 0 HG2 ARG A 41 -18.232 -0.954 -12.038 1.00 5.83 H new ATOM 0 HG3 ARG A 41 -17.857 0.228 -13.276 1.00 5.83 H new ATOM 0 HD2 ARG A 41 -15.747 -1.004 -13.796 1.00 6.30 H new ATOM 0 HD3 ARG A 41 -16.152 -2.196 -12.577 1.00 6.30 H new ATOM 0 HE ARG A 41 -18.366 -2.016 -14.359 1.00 6.60 H new ATOM 0 HH11 ARG A 41 -15.014 -3.117 -14.268 1.00 7.72 H new ATOM 0 HH12 ARG A 41 -15.233 -4.275 -15.585 1.00 7.72 H new ATOM 0 HH21 ARG A 41 -18.652 -3.510 -16.041 1.00 7.82 H new ATOM 0 HH22 ARG A 41 -17.292 -4.497 -16.589 1.00 7.82 H new ATOM 604 N LYS A 42 -13.134 1.508 -11.901 1.00 7.18 N ATOM 605 CA LYS A 42 -11.750 1.075 -11.780 1.00 7.95 C ATOM 606 C LYS A 42 -11.579 0.214 -10.532 1.00 7.64 C ATOM 607 O LYS A 42 -11.138 -0.932 -10.602 1.00 7.95 O ATOM 608 CB LYS A 42 -10.808 2.285 -11.694 1.00 8.85 C ATOM 609 CG LYS A 42 -10.912 3.274 -12.851 1.00 9.40 C ATOM 610 CD LYS A 42 -12.096 4.227 -12.699 1.00 8.95 C ATOM 611 CE LYS A 42 -12.022 5.340 -13.725 1.00 9.61 C ATOM 612 NZ LYS A 42 -13.114 6.339 -13.583 1.00 9.98 N ATOM 0 H LYS A 42 -13.262 2.519 -11.858 1.00 7.18 H new ATOM 0 HA LYS A 42 -11.497 0.492 -12.665 1.00 7.95 H new ATOM 0 HB2 LYS A 42 -11.009 2.816 -10.764 1.00 8.85 H new ATOM 0 HB3 LYS A 42 -9.782 1.923 -11.638 1.00 8.85 H new ATOM 0 HG2 LYS A 42 -9.990 3.852 -12.915 1.00 9.40 H new ATOM 0 HG3 LYS A 42 -11.009 2.724 -13.787 1.00 9.40 H new ATOM 0 HD2 LYS A 42 -13.030 3.677 -12.818 1.00 8.95 H new ATOM 0 HD3 LYS A 42 -12.102 4.651 -11.695 1.00 8.95 H new ATOM 0 HE2 LYS A 42 -11.061 5.846 -13.634 1.00 9.61 H new ATOM 0 HE3 LYS A 42 -12.061 4.907 -14.725 1.00 9.61 H new ATOM 0 HZ1 LYS A 42 -12.706 7.295 -13.538 1.00 9.98 H new ATOM 0 HZ2 LYS A 42 -13.753 6.273 -14.401 1.00 9.98 H new ATOM 0 HZ3 LYS A 42 -13.647 6.149 -12.711 1.00 9.98 H new ATOM 626 N ASN A 43 -11.969 0.799 -9.402 1.00 7.18 N ATOM 627 CA ASN A 43 -11.859 0.184 -8.076 1.00 6.90 C ATOM 628 C ASN A 43 -12.181 1.248 -7.029 1.00 6.59 C ATOM 629 O ASN A 43 -11.328 2.062 -6.678 1.00 7.32 O ATOM 630 CB ASN A 43 -10.458 -0.386 -7.825 1.00 7.86 C ATOM 631 CG ASN A 43 -10.485 -1.875 -7.512 1.00 7.89 C ATOM 632 OD1 ASN A 43 -10.576 -2.276 -6.352 1.00 7.84 O ATOM 633 ND2 ASN A 43 -10.423 -2.705 -8.543 1.00 8.26 N ATOM 0 H ASN A 43 -12.379 1.733 -9.379 1.00 7.18 H new ATOM 0 HA ASN A 43 -12.561 -0.648 -8.014 1.00 6.90 H new ATOM 0 HB2 ASN A 43 -9.836 -0.213 -8.703 1.00 7.86 H new ATOM 0 HB3 ASN A 43 -9.994 0.148 -6.996 1.00 7.86 H new ATOM 0 HD21 ASN A 43 -10.450 -3.713 -8.389 1.00 8.26 H new ATOM 0 HD22 ASN A 43 -10.348 -2.336 -9.491 1.00 8.26 H new ATOM 640 N PRO A 44 -13.430 1.290 -6.556 1.00 5.79 N ATOM 641 CA PRO A 44 -13.906 2.362 -5.691 1.00 5.83 C ATOM 642 C PRO A 44 -13.677 2.118 -4.203 1.00 5.83 C ATOM 643 O PRO A 44 -13.866 3.027 -3.396 1.00 6.26 O ATOM 644 CB PRO A 44 -15.395 2.387 -6.014 1.00 5.35 C ATOM 645 CG PRO A 44 -15.744 0.965 -6.318 1.00 4.82 C ATOM 646 CD PRO A 44 -14.490 0.311 -6.847 1.00 5.18 C ATOM 0 HA PRO A 44 -13.374 3.296 -5.872 1.00 5.83 H new ATOM 0 HB2 PRO A 44 -15.976 2.766 -5.173 1.00 5.35 H new ATOM 0 HB3 PRO A 44 -15.604 3.036 -6.864 1.00 5.35 H new ATOM 0 HG2 PRO A 44 -16.098 0.454 -5.423 1.00 4.82 H new ATOM 0 HG3 PRO A 44 -16.547 0.913 -7.053 1.00 4.82 H new ATOM 0 HD2 PRO A 44 -14.299 -0.643 -6.355 1.00 5.18 H new ATOM 0 HD3 PRO A 44 -14.565 0.109 -7.916 1.00 5.18 H new ATOM 654 N ASP A 45 -13.255 0.902 -3.857 1.00 5.59 N ATOM 655 CA ASP A 45 -13.102 0.487 -2.455 1.00 5.67 C ATOM 656 C ASP A 45 -14.330 0.880 -1.630 1.00 5.46 C ATOM 657 O ASP A 45 -14.254 1.740 -0.752 1.00 5.44 O ATOM 658 CB ASP A 45 -11.830 1.076 -1.831 1.00 6.26 C ATOM 659 CG ASP A 45 -10.570 0.476 -2.413 1.00 6.73 C ATOM 660 OD1 ASP A 45 -10.291 -0.708 -2.136 1.00 6.98 O ATOM 661 OD2 ASP A 45 -9.838 1.190 -3.137 1.00 7.06 O ATOM 0 H ASP A 45 -13.010 0.178 -4.533 1.00 5.59 H new ATOM 0 HA ASP A 45 -13.011 -0.599 -2.446 1.00 5.67 H new ATOM 0 HB2 ASP A 45 -11.820 2.155 -1.985 1.00 6.26 H new ATOM 0 HB3 ASP A 45 -11.845 0.907 -0.754 1.00 6.26 H new ATOM 666 N PRO A 46 -15.490 0.250 -1.903 1.00 5.77 N ATOM 667 CA PRO A 46 -16.771 0.638 -1.293 1.00 6.07 C ATOM 668 C PRO A 46 -16.862 0.283 0.189 1.00 6.28 C ATOM 669 O PRO A 46 -17.417 1.038 0.988 1.00 6.83 O ATOM 670 CB PRO A 46 -17.816 -0.162 -2.084 1.00 6.80 C ATOM 671 CG PRO A 46 -17.083 -0.756 -3.246 1.00 6.93 C ATOM 672 CD PRO A 46 -15.653 -0.887 -2.818 1.00 6.33 C ATOM 0 HA PRO A 46 -16.910 1.718 -1.336 1.00 6.07 H new ATOM 0 HB2 PRO A 46 -18.263 -0.940 -1.465 1.00 6.80 H new ATOM 0 HB3 PRO A 46 -18.628 0.482 -2.422 1.00 6.80 H new ATOM 0 HG2 PRO A 46 -17.499 -1.727 -3.513 1.00 6.93 H new ATOM 0 HG3 PRO A 46 -17.169 -0.119 -4.127 1.00 6.93 H new ATOM 0 HD2 PRO A 46 -15.464 -1.838 -2.321 1.00 6.33 H new ATOM 0 HD3 PRO A 46 -14.969 -0.828 -3.665 1.00 6.33 H new ATOM 680 N LEU A 47 -16.319 -0.869 0.546 1.00 6.19 N ATOM 681 CA LEU A 47 -16.393 -1.354 1.916 1.00 6.74 C ATOM 682 C LEU A 47 -15.045 -1.221 2.606 1.00 6.79 C ATOM 683 O LEU A 47 -14.959 -0.725 3.727 1.00 7.54 O ATOM 684 CB LEU A 47 -16.846 -2.814 1.933 1.00 7.04 C ATOM 685 CG LEU A 47 -18.218 -3.073 1.307 1.00 7.00 C ATOM 686 CD1 LEU A 47 -18.505 -4.563 1.248 1.00 6.92 C ATOM 687 CD2 LEU A 47 -19.307 -2.347 2.086 1.00 7.53 C ATOM 0 H LEU A 47 -15.821 -1.487 -0.094 1.00 6.19 H new ATOM 0 HA LEU A 47 -17.120 -0.748 2.456 1.00 6.74 H new ATOM 0 HB2 LEU A 47 -16.104 -3.415 1.407 1.00 7.04 H new ATOM 0 HB3 LEU A 47 -16.863 -3.161 2.966 1.00 7.04 H new ATOM 0 HG LEU A 47 -18.210 -2.686 0.288 1.00 7.00 H new ATOM 0 HD11 LEU A 47 -19.485 -4.727 0.800 1.00 6.92 H new ATOM 0 HD12 LEU A 47 -17.743 -5.057 0.645 1.00 6.92 H new ATOM 0 HD13 LEU A 47 -18.493 -4.976 2.257 1.00 6.92 H new ATOM 0 HD21 LEU A 47 -20.276 -2.543 1.626 1.00 7.53 H new ATOM 0 HD22 LEU A 47 -19.316 -2.703 3.116 1.00 7.53 H new ATOM 0 HD23 LEU A 47 -19.110 -1.275 2.074 1.00 7.53 H new ATOM 699 N ALA A 48 -14.003 -1.678 1.914 1.00 6.28 N ATOM 700 CA ALA A 48 -12.627 -1.635 2.402 1.00 6.64 C ATOM 701 C ALA A 48 -11.720 -2.276 1.356 1.00 6.21 C ATOM 702 O ALA A 48 -11.004 -1.590 0.640 1.00 6.37 O ATOM 703 CB ALA A 48 -12.483 -2.356 3.746 1.00 7.26 C ATOM 0 H ALA A 48 -14.092 -2.094 0.987 1.00 6.28 H new ATOM 0 HA ALA A 48 -12.341 -0.596 2.563 1.00 6.64 H new ATOM 0 HB1 ALA A 48 -11.446 -2.303 4.078 1.00 7.26 H new ATOM 0 HB2 ALA A 48 -13.125 -1.878 4.486 1.00 7.26 H new ATOM 0 HB3 ALA A 48 -12.775 -3.400 3.632 1.00 7.26 H new ATOM 709 N THR A 49 -11.765 -3.596 1.282 1.00 5.97 N ATOM 710 CA THR A 49 -11.126 -4.337 0.202 1.00 5.78 C ATOM 711 C THR A 49 -12.124 -5.316 -0.414 1.00 5.51 C ATOM 712 O THR A 49 -11.800 -6.074 -1.327 1.00 5.78 O ATOM 713 CB THR A 49 -9.910 -5.119 0.721 1.00 5.98 C ATOM 714 OG1 THR A 49 -10.296 -5.861 1.886 1.00 6.42 O ATOM 715 CG2 THR A 49 -8.755 -4.190 1.059 1.00 6.50 C ATOM 0 H THR A 49 -12.243 -4.184 1.965 1.00 5.97 H new ATOM 0 HA THR A 49 -10.792 -3.623 -0.550 1.00 5.78 H new ATOM 0 HB THR A 49 -9.571 -5.797 -0.063 1.00 5.98 H new ATOM 0 HG1 THR A 49 -9.654 -6.585 2.040 1.00 6.42 H new ATOM 0 HG21 THR A 49 -7.911 -4.776 1.423 1.00 6.50 H new ATOM 0 HG22 THR A 49 -8.457 -3.641 0.166 1.00 6.50 H new ATOM 0 HG23 THR A 49 -9.068 -3.486 1.830 1.00 6.50 H new ATOM 723 N GLU A 50 -13.349 -5.273 0.121 1.00 5.40 N ATOM 724 CA GLU A 50 -14.443 -6.171 -0.263 1.00 5.68 C ATOM 725 C GLU A 50 -14.125 -7.645 -0.017 1.00 5.52 C ATOM 726 O GLU A 50 -14.876 -8.525 -0.444 1.00 5.73 O ATOM 727 CB GLU A 50 -14.886 -5.933 -1.702 1.00 6.30 C ATOM 728 CG GLU A 50 -15.577 -4.594 -1.885 1.00 7.02 C ATOM 729 CD GLU A 50 -16.373 -4.511 -3.171 1.00 8.02 C ATOM 730 OE1 GLU A 50 -17.542 -4.946 -3.178 1.00 8.40 O ATOM 731 OE2 GLU A 50 -15.840 -4.002 -4.175 1.00 8.59 O ATOM 0 H GLU A 50 -13.612 -4.603 0.844 1.00 5.40 H new ATOM 0 HA GLU A 50 -15.278 -5.924 0.393 1.00 5.68 H new ATOM 0 HB2 GLU A 50 -14.017 -5.982 -2.359 1.00 6.30 H new ATOM 0 HB3 GLU A 50 -15.562 -6.732 -2.007 1.00 6.30 H new ATOM 0 HG2 GLU A 50 -16.242 -4.416 -1.040 1.00 7.02 H new ATOM 0 HG3 GLU A 50 -14.829 -3.801 -1.875 1.00 7.02 H new ATOM 738 N GLU A 51 -13.025 -7.916 0.679 1.00 5.43 N ATOM 739 CA GLU A 51 -12.795 -9.240 1.233 1.00 5.45 C ATOM 740 C GLU A 51 -13.806 -9.449 2.340 1.00 5.48 C ATOM 741 O GLU A 51 -14.600 -10.387 2.320 1.00 5.85 O ATOM 742 CB GLU A 51 -11.380 -9.371 1.810 1.00 5.47 C ATOM 743 CG GLU A 51 -10.281 -8.926 0.861 1.00 6.03 C ATOM 744 CD GLU A 51 -8.925 -8.879 1.533 1.00 6.79 C ATOM 745 OE1 GLU A 51 -8.609 -7.849 2.163 1.00 6.93 O ATOM 746 OE2 GLU A 51 -8.173 -9.871 1.440 1.00 7.46 O ATOM 0 H GLU A 51 -12.286 -7.240 0.870 1.00 5.43 H new ATOM 0 HA GLU A 51 -12.900 -9.986 0.445 1.00 5.45 H new ATOM 0 HB2 GLU A 51 -11.316 -8.782 2.725 1.00 5.47 H new ATOM 0 HB3 GLU A 51 -11.207 -10.411 2.088 1.00 5.47 H new ATOM 0 HG2 GLU A 51 -10.240 -9.608 0.012 1.00 6.03 H new ATOM 0 HG3 GLU A 51 -10.523 -7.939 0.466 1.00 6.03 H new ATOM 753 N VAL A 52 -13.767 -8.511 3.284 1.00 5.42 N ATOM 754 CA VAL A 52 -14.706 -8.449 4.395 1.00 5.86 C ATOM 755 C VAL A 52 -14.847 -9.804 5.089 1.00 6.11 C ATOM 756 O VAL A 52 -15.847 -10.504 4.921 1.00 6.55 O ATOM 757 CB VAL A 52 -16.095 -7.933 3.945 1.00 6.43 C ATOM 758 CG1 VAL A 52 -17.003 -7.699 5.142 1.00 6.99 C ATOM 759 CG2 VAL A 52 -15.950 -6.649 3.142 1.00 6.80 C ATOM 0 H VAL A 52 -13.072 -7.764 3.296 1.00 5.42 H new ATOM 0 HA VAL A 52 -14.295 -7.738 5.111 1.00 5.86 H new ATOM 0 HB VAL A 52 -16.549 -8.697 3.313 1.00 6.43 H new ATOM 0 HG11 VAL A 52 -17.972 -7.337 4.798 1.00 6.99 H new ATOM 0 HG12 VAL A 52 -17.137 -8.634 5.685 1.00 6.99 H new ATOM 0 HG13 VAL A 52 -16.552 -6.958 5.802 1.00 6.99 H new ATOM 0 HG21 VAL A 52 -16.935 -6.300 2.833 1.00 6.80 H new ATOM 0 HG22 VAL A 52 -15.471 -5.887 3.757 1.00 6.80 H new ATOM 0 HG23 VAL A 52 -15.339 -6.839 2.259 1.00 6.80 H new ATOM 769 N PRO A 53 -13.826 -10.220 5.848 1.00 6.09 N ATOM 770 CA PRO A 53 -13.944 -11.392 6.703 1.00 6.51 C ATOM 771 C PRO A 53 -14.957 -11.110 7.801 1.00 6.99 C ATOM 772 O PRO A 53 -15.905 -11.866 8.004 1.00 7.85 O ATOM 773 CB PRO A 53 -12.538 -11.574 7.293 1.00 6.60 C ATOM 774 CG PRO A 53 -11.638 -10.733 6.443 1.00 6.37 C ATOM 775 CD PRO A 53 -12.489 -9.609 5.922 1.00 6.00 C ATOM 0 HA PRO A 53 -14.281 -12.283 6.173 1.00 6.51 H new ATOM 0 HB2 PRO A 53 -12.505 -11.255 8.335 1.00 6.60 H new ATOM 0 HB3 PRO A 53 -12.235 -12.621 7.270 1.00 6.60 H new ATOM 0 HG2 PRO A 53 -10.799 -10.350 7.024 1.00 6.37 H new ATOM 0 HG3 PRO A 53 -11.218 -11.316 5.624 1.00 6.37 H new ATOM 0 HD2 PRO A 53 -12.474 -8.748 6.590 1.00 6.00 H new ATOM 0 HD3 PRO A 53 -12.148 -9.262 4.946 1.00 6.00 H new ATOM 783 N ASN A 54 -14.724 -9.985 8.484 1.00 6.65 N ATOM 784 CA ASN A 54 -15.627 -9.432 9.514 1.00 7.32 C ATOM 785 C ASN A 54 -15.743 -10.327 10.751 1.00 7.87 C ATOM 786 O ASN A 54 -16.082 -9.867 11.842 1.00 8.62 O ATOM 787 CB ASN A 54 -17.013 -9.161 8.916 1.00 7.53 C ATOM 788 CG ASN A 54 -17.755 -8.017 9.596 1.00 7.80 C ATOM 789 OD1 ASN A 54 -18.513 -7.300 8.947 1.00 7.76 O ATOM 790 ND2 ASN A 54 -17.563 -7.836 10.894 1.00 8.37 N ATOM 0 H ASN A 54 -13.889 -9.418 8.338 1.00 6.65 H new ATOM 0 HA ASN A 54 -15.185 -8.494 9.849 1.00 7.32 H new ATOM 0 HB2 ASN A 54 -16.904 -8.934 7.856 1.00 7.53 H new ATOM 0 HB3 ASN A 54 -17.614 -10.067 8.988 1.00 7.53 H new ATOM 0 HD21 ASN A 54 -18.051 -7.085 11.382 1.00 8.37 H new ATOM 0 HD22 ASN A 54 -16.927 -8.448 11.406 1.00 8.37 H new ATOM 797 N GLN A 55 -15.431 -11.585 10.570 1.00 7.71 N ATOM 798 CA GLN A 55 -15.537 -12.588 11.623 1.00 8.46 C ATOM 799 C GLN A 55 -14.495 -12.325 12.703 1.00 8.71 C ATOM 800 O GLN A 55 -14.688 -12.650 13.872 1.00 9.31 O ATOM 801 CB GLN A 55 -15.345 -13.986 11.028 1.00 9.37 C ATOM 802 CG GLN A 55 -13.902 -14.291 10.634 1.00 9.49 C ATOM 803 CD GLN A 55 -13.777 -15.377 9.585 1.00 9.90 C ATOM 804 OE1 GLN A 55 -14.639 -16.245 9.453 1.00 10.49 O ATOM 805 NE2 GLN A 55 -12.667 -15.353 8.860 1.00 9.79 N ATOM 0 H GLN A 55 -15.092 -11.955 9.682 1.00 7.71 H new ATOM 0 HA GLN A 55 -16.527 -12.529 12.074 1.00 8.46 H new ATOM 0 HB2 GLN A 55 -15.680 -14.729 11.752 1.00 9.37 H new ATOM 0 HB3 GLN A 55 -15.982 -14.088 10.149 1.00 9.37 H new ATOM 0 HG2 GLN A 55 -13.436 -13.380 10.259 1.00 9.49 H new ATOM 0 HG3 GLN A 55 -13.347 -14.590 11.523 1.00 9.49 H new ATOM 0 HE21 GLN A 55 -11.980 -14.613 9.004 1.00 9.79 H new ATOM 0 HE22 GLN A 55 -12.501 -16.074 8.158 1.00 9.79 H new ATOM 814 N GLU A 56 -13.394 -11.722 12.285 1.00 8.44 N ATOM 815 CA GLU A 56 -12.313 -11.364 13.183 1.00 8.86 C ATOM 816 C GLU A 56 -12.321 -9.857 13.400 1.00 8.25 C ATOM 817 O GLU A 56 -11.281 -9.239 13.639 1.00 8.21 O ATOM 818 CB GLU A 56 -10.988 -11.836 12.590 1.00 9.28 C ATOM 819 CG GLU A 56 -10.925 -13.348 12.438 1.00 10.30 C ATOM 820 CD GLU A 56 -10.060 -13.792 11.282 1.00 10.82 C ATOM 821 OE1 GLU A 56 -10.573 -13.842 10.139 1.00 11.07 O ATOM 822 OE2 GLU A 56 -8.872 -14.103 11.506 1.00 11.15 O ATOM 0 H GLU A 56 -13.226 -11.467 11.312 1.00 8.44 H new ATOM 0 HA GLU A 56 -12.444 -11.849 14.150 1.00 8.86 H new ATOM 0 HB2 GLU A 56 -10.843 -11.370 11.616 1.00 9.28 H new ATOM 0 HB3 GLU A 56 -10.169 -11.504 13.228 1.00 9.28 H new ATOM 0 HG2 GLU A 56 -10.541 -13.784 13.360 1.00 10.30 H new ATOM 0 HG3 GLU A 56 -11.934 -13.736 12.299 1.00 10.30 H new ATOM 829 N GLN A 57 -13.530 -9.293 13.310 1.00 8.02 N ATOM 830 CA GLN A 57 -13.783 -7.860 13.461 1.00 7.71 C ATOM 831 C GLN A 57 -13.208 -7.064 12.300 1.00 6.84 C ATOM 832 O GLN A 57 -13.945 -6.583 11.440 1.00 6.77 O ATOM 833 CB GLN A 57 -13.239 -7.313 14.787 1.00 8.64 C ATOM 834 CG GLN A 57 -13.762 -8.049 16.011 1.00 9.62 C ATOM 835 CD GLN A 57 -15.274 -8.202 16.014 1.00 10.46 C ATOM 836 OE1 GLN A 57 -16.007 -7.358 15.493 1.00 10.72 O ATOM 837 NE2 GLN A 57 -15.749 -9.294 16.590 1.00 11.09 N ATOM 0 H GLN A 57 -14.376 -9.833 13.126 1.00 8.02 H new ATOM 0 HA GLN A 57 -14.866 -7.741 13.464 1.00 7.71 H new ATOM 0 HB2 GLN A 57 -12.151 -7.372 14.775 1.00 8.64 H new ATOM 0 HB3 GLN A 57 -13.500 -6.258 14.869 1.00 8.64 H new ATOM 0 HG2 GLN A 57 -13.303 -9.036 16.057 1.00 9.62 H new ATOM 0 HG3 GLN A 57 -13.455 -7.512 16.909 1.00 9.62 H new ATOM 0 HE21 GLN A 57 -15.109 -9.968 17.010 1.00 11.09 H new ATOM 0 HE22 GLN A 57 -16.755 -9.462 16.614 1.00 11.09 H new ATOM 846 N ILE A 58 -11.887 -6.964 12.275 1.00 6.43 N ATOM 847 CA ILE A 58 -11.181 -6.133 11.312 1.00 5.79 C ATOM 848 C ILE A 58 -11.527 -4.656 11.535 1.00 5.74 C ATOM 849 O ILE A 58 -12.369 -4.081 10.843 1.00 5.48 O ATOM 850 CB ILE A 58 -11.472 -6.550 9.845 1.00 5.36 C ATOM 851 CG1 ILE A 58 -11.132 -8.032 9.629 1.00 5.76 C ATOM 852 CG2 ILE A 58 -10.693 -5.678 8.861 1.00 5.36 C ATOM 853 CD1 ILE A 58 -9.693 -8.390 9.945 1.00 6.29 C ATOM 0 H ILE A 58 -11.274 -7.458 12.923 1.00 6.43 H new ATOM 0 HA ILE A 58 -10.113 -6.280 11.475 1.00 5.79 H new ATOM 0 HB ILE A 58 -12.536 -6.404 9.659 1.00 5.36 H new ATOM 0 HG12 ILE A 58 -11.791 -8.639 10.250 1.00 5.76 H new ATOM 0 HG13 ILE A 58 -11.341 -8.294 8.592 1.00 5.76 H new ATOM 0 HG21 ILE A 58 -10.916 -5.992 7.841 1.00 5.36 H new ATOM 0 HG22 ILE A 58 -10.982 -4.635 8.991 1.00 5.36 H new ATOM 0 HG23 ILE A 58 -9.624 -5.784 9.048 1.00 5.36 H new ATOM 0 HD11 ILE A 58 -9.535 -9.454 9.767 1.00 6.29 H new ATOM 0 HD12 ILE A 58 -9.025 -7.812 9.306 1.00 6.29 H new ATOM 0 HD13 ILE A 58 -9.482 -8.162 10.990 1.00 6.29 H new ATOM 865 N PRO A 59 -10.904 -4.036 12.552 1.00 6.40 N ATOM 866 CA PRO A 59 -11.092 -2.626 12.867 1.00 6.85 C ATOM 867 C PRO A 59 -10.055 -1.752 12.170 1.00 6.63 C ATOM 868 O PRO A 59 -10.027 -0.532 12.336 1.00 7.28 O ATOM 869 CB PRO A 59 -10.902 -2.606 14.381 1.00 7.95 C ATOM 870 CG PRO A 59 -9.924 -3.701 14.666 1.00 8.02 C ATOM 871 CD PRO A 59 -9.973 -4.669 13.504 1.00 7.12 C ATOM 0 HA PRO A 59 -12.054 -2.233 12.538 1.00 6.85 H new ATOM 0 HB2 PRO A 59 -10.523 -1.641 14.718 1.00 7.95 H new ATOM 0 HB3 PRO A 59 -11.846 -2.776 14.899 1.00 7.95 H new ATOM 0 HG2 PRO A 59 -8.919 -3.296 14.785 1.00 8.02 H new ATOM 0 HG3 PRO A 59 -10.176 -4.207 15.598 1.00 8.02 H new ATOM 0 HD2 PRO A 59 -8.987 -4.813 13.062 1.00 7.12 H new ATOM 0 HD3 PRO A 59 -10.328 -5.651 13.817 1.00 7.12 H new ATOM 879 N GLU A 60 -9.206 -2.395 11.391 1.00 5.93 N ATOM 880 CA GLU A 60 -8.145 -1.709 10.687 1.00 5.88 C ATOM 881 C GLU A 60 -8.571 -1.364 9.264 1.00 5.80 C ATOM 882 O GLU A 60 -8.492 -2.185 8.357 1.00 5.92 O ATOM 883 CB GLU A 60 -6.880 -2.564 10.697 1.00 5.78 C ATOM 884 CG GLU A 60 -7.134 -4.031 10.373 1.00 5.71 C ATOM 885 CD GLU A 60 -5.901 -4.883 10.549 1.00 6.20 C ATOM 886 OE1 GLU A 60 -5.660 -5.359 11.672 1.00 6.61 O ATOM 887 OE2 GLU A 60 -5.170 -5.085 9.555 1.00 6.44 O ATOM 0 H GLU A 60 -9.234 -3.402 11.230 1.00 5.93 H new ATOM 0 HA GLU A 60 -7.931 -0.770 11.198 1.00 5.88 H new ATOM 0 HB2 GLU A 60 -6.171 -2.158 9.975 1.00 5.78 H new ATOM 0 HB3 GLU A 60 -6.411 -2.493 11.678 1.00 5.78 H new ATOM 0 HG2 GLU A 60 -7.928 -4.410 11.016 1.00 5.71 H new ATOM 0 HG3 GLU A 60 -7.488 -4.117 9.346 1.00 5.71 H new ATOM 894 N GLU A 61 -9.045 -0.138 9.089 1.00 5.98 N ATOM 895 CA GLU A 61 -9.496 0.336 7.788 1.00 6.40 C ATOM 896 C GLU A 61 -8.307 0.785 6.937 1.00 6.67 C ATOM 897 O GLU A 61 -8.414 0.951 5.724 1.00 7.45 O ATOM 898 CB GLU A 61 -10.493 1.484 7.986 1.00 6.95 C ATOM 899 CG GLU A 61 -11.050 2.063 6.697 1.00 7.52 C ATOM 900 CD GLU A 61 -11.999 3.213 6.945 1.00 8.17 C ATOM 901 OE1 GLU A 61 -11.557 4.244 7.492 1.00 8.72 O ATOM 902 OE2 GLU A 61 -13.191 3.094 6.593 1.00 8.32 O ATOM 0 H GLU A 61 -9.127 0.550 9.837 1.00 5.98 H new ATOM 0 HA GLU A 61 -9.992 -0.478 7.259 1.00 6.40 H new ATOM 0 HB2 GLU A 61 -11.322 1.127 8.597 1.00 6.95 H new ATOM 0 HB3 GLU A 61 -10.004 2.281 8.546 1.00 6.95 H new ATOM 0 HG2 GLU A 61 -10.227 2.404 6.069 1.00 7.52 H new ATOM 0 HG3 GLU A 61 -11.569 1.280 6.144 1.00 7.52 H new ATOM 909 N GLY A 62 -7.163 0.959 7.580 1.00 6.22 N ATOM 910 CA GLY A 62 -5.983 1.407 6.865 1.00 6.69 C ATOM 911 C GLY A 62 -5.456 2.728 7.375 1.00 6.92 C ATOM 912 O GLY A 62 -4.419 3.212 6.920 1.00 7.40 O ATOM 0 H GLY A 62 -7.029 0.800 8.578 1.00 6.22 H new ATOM 0 HA2 GLY A 62 -5.202 0.651 6.952 1.00 6.69 H new ATOM 0 HA3 GLY A 62 -6.219 1.500 5.805 1.00 6.69 H new ATOM 916 N PHE A 63 -6.164 3.309 8.333 1.00 6.81 N ATOM 917 CA PHE A 63 -5.774 4.584 8.926 1.00 7.27 C ATOM 918 C PHE A 63 -4.766 4.375 10.057 1.00 6.90 C ATOM 919 O PHE A 63 -4.641 5.212 10.948 1.00 7.34 O ATOM 920 CB PHE A 63 -7.012 5.334 9.452 1.00 8.02 C ATOM 921 CG PHE A 63 -7.801 4.592 10.506 1.00 7.85 C ATOM 922 CD1 PHE A 63 -8.739 3.634 10.146 1.00 7.70 C ATOM 923 CD2 PHE A 63 -7.601 4.848 11.854 1.00 8.09 C ATOM 924 CE1 PHE A 63 -9.462 2.952 11.107 1.00 7.74 C ATOM 925 CE2 PHE A 63 -8.321 4.169 12.817 1.00 8.21 C ATOM 926 CZ PHE A 63 -9.253 3.226 12.446 1.00 8.00 C ATOM 0 H PHE A 63 -7.021 2.914 8.721 1.00 6.81 H new ATOM 0 HA PHE A 63 -5.300 5.186 8.150 1.00 7.27 H new ATOM 0 HB2 PHE A 63 -6.692 6.291 9.864 1.00 8.02 H new ATOM 0 HB3 PHE A 63 -7.671 5.553 8.612 1.00 8.02 H new ATOM 0 HD1 PHE A 63 -8.906 3.419 9.101 1.00 7.70 H new ATOM 0 HD2 PHE A 63 -6.873 5.587 12.154 1.00 8.09 H new ATOM 0 HE1 PHE A 63 -10.187 2.208 10.813 1.00 7.74 H new ATOM 0 HE2 PHE A 63 -8.153 4.378 13.863 1.00 8.21 H new ATOM 0 HZ PHE A 63 -9.820 2.701 13.200 1.00 8.00 H new ATOM 936 N ILE A 64 -4.036 3.266 10.004 1.00 6.31 N ATOM 937 CA ILE A 64 -3.067 2.940 11.041 1.00 6.14 C ATOM 938 C ILE A 64 -1.958 3.994 11.071 1.00 6.65 C ATOM 939 O ILE A 64 -1.448 4.348 12.135 1.00 6.98 O ATOM 940 CB ILE A 64 -2.457 1.539 10.819 1.00 5.61 C ATOM 941 CG1 ILE A 64 -3.565 0.512 10.536 1.00 5.10 C ATOM 942 CG2 ILE A 64 -1.653 1.120 12.041 1.00 5.86 C ATOM 943 CD1 ILE A 64 -3.043 -0.879 10.230 1.00 5.02 C ATOM 0 H ILE A 64 -4.098 2.578 9.253 1.00 6.31 H new ATOM 0 HA ILE A 64 -3.587 2.934 11.999 1.00 6.14 H new ATOM 0 HB ILE A 64 -1.792 1.580 9.956 1.00 5.61 H new ATOM 0 HG12 ILE A 64 -4.229 0.460 11.399 1.00 5.10 H new ATOM 0 HG13 ILE A 64 -4.164 0.859 9.694 1.00 5.10 H new ATOM 0 HG21 ILE A 64 -1.227 0.131 11.874 1.00 5.86 H new ATOM 0 HG22 ILE A 64 -0.850 1.837 12.211 1.00 5.86 H new ATOM 0 HG23 ILE A 64 -2.305 1.092 12.914 1.00 5.86 H new ATOM 0 HD11 ILE A 64 -3.882 -1.549 10.041 1.00 5.02 H new ATOM 0 HD12 ILE A 64 -2.403 -0.842 9.349 1.00 5.02 H new ATOM 0 HD13 ILE A 64 -2.469 -1.247 11.080 1.00 5.02 H new ATOM 955 N HIS A 65 -1.588 4.465 9.873 1.00 6.99 N ATOM 956 CA HIS A 65 -0.721 5.639 9.698 1.00 7.71 C ATOM 957 C HIS A 65 0.739 5.281 9.994 1.00 7.41 C ATOM 958 O HIS A 65 1.622 6.141 10.002 1.00 7.99 O ATOM 959 CB HIS A 65 -1.202 6.787 10.601 1.00 8.57 C ATOM 960 CG HIS A 65 -0.777 8.158 10.162 1.00 9.17 C ATOM 961 ND1 HIS A 65 0.538 8.547 10.070 1.00 9.64 N ATOM 962 CD2 HIS A 65 -1.509 9.238 9.806 1.00 9.60 C ATOM 963 CE1 HIS A 65 0.598 9.806 9.682 1.00 10.31 C ATOM 964 NE2 HIS A 65 -0.631 10.250 9.513 1.00 10.28 N ATOM 0 H HIS A 65 -1.883 4.041 8.993 1.00 6.99 H new ATOM 0 HA HIS A 65 -0.779 5.969 8.661 1.00 7.71 H new ATOM 0 HB2 HIS A 65 -2.290 6.759 10.651 1.00 8.57 H new ATOM 0 HB3 HIS A 65 -0.832 6.614 11.612 1.00 8.57 H new ATOM 0 HD1 HIS A 65 1.343 7.954 10.271 1.00 9.64 H new ATOM 0 HD2 HIS A 65 -2.587 9.293 9.761 1.00 9.60 H new ATOM 0 HE1 HIS A 65 1.502 10.377 9.529 1.00 10.31 H new ATOM 973 N THR A 66 0.989 4.006 10.217 1.00 6.67 N ATOM 974 CA THR A 66 2.321 3.546 10.567 1.00 6.47 C ATOM 975 C THR A 66 3.065 2.995 9.357 1.00 6.60 C ATOM 976 O THR A 66 4.259 2.698 9.432 1.00 6.62 O ATOM 977 CB THR A 66 2.261 2.469 11.654 1.00 6.64 C ATOM 978 OG1 THR A 66 1.354 1.431 11.264 1.00 7.18 O ATOM 979 CG2 THR A 66 1.826 3.059 12.990 1.00 6.82 C ATOM 0 H THR A 66 0.287 3.268 10.162 1.00 6.67 H new ATOM 0 HA THR A 66 2.864 4.413 10.944 1.00 6.47 H new ATOM 0 HB THR A 66 3.261 2.053 11.774 1.00 6.64 H new ATOM 0 HG1 THR A 66 1.322 0.745 11.963 1.00 7.18 H new ATOM 0 HG21 THR A 66 1.793 2.271 13.742 1.00 6.82 H new ATOM 0 HG22 THR A 66 2.538 3.825 13.298 1.00 6.82 H new ATOM 0 HG23 THR A 66 0.836 3.504 12.886 1.00 6.82 H new ATOM 987 N GLN A 67 2.370 2.881 8.233 1.00 6.89 N ATOM 988 CA GLN A 67 2.987 2.385 7.011 1.00 7.37 C ATOM 989 C GLN A 67 3.801 3.501 6.364 1.00 7.24 C ATOM 990 O GLN A 67 4.445 3.317 5.332 1.00 7.66 O ATOM 991 CB GLN A 67 1.926 1.857 6.045 1.00 8.01 C ATOM 992 CG GLN A 67 0.961 0.869 6.692 1.00 8.35 C ATOM 993 CD GLN A 67 0.076 0.147 5.692 1.00 9.02 C ATOM 994 OE1 GLN A 67 0.612 -0.150 4.520 1.00 9.58 O flip ATOM 995 NE2 GLN A 67 -1.074 -0.175 5.994 1.00 9.24 N flip ATOM 0 H GLN A 67 1.384 3.124 8.142 1.00 6.89 H new ATOM 0 HA GLN A 67 3.652 1.557 7.258 1.00 7.37 H new ATOM 0 HB2 GLN A 67 1.360 2.697 5.643 1.00 8.01 H new ATOM 0 HB3 GLN A 67 2.420 1.373 5.202 1.00 8.01 H new ATOM 0 HG2 GLN A 67 1.532 0.133 7.258 1.00 8.35 H new ATOM 0 HG3 GLN A 67 0.331 1.401 7.405 1.00 8.35 H new ATOM 0 HE21 GLN A 67 -1.450 0.074 6.909 1.00 9.24 H new ATOM 0 HE22 GLN A 67 -1.651 -0.690 5.329 1.00 9.24 H new ATOM 1004 N TYR A 68 3.747 4.666 6.997 1.00 6.89 N ATOM 1005 CA TYR A 68 4.570 5.800 6.618 1.00 7.01 C ATOM 1006 C TYR A 68 5.869 5.762 7.425 1.00 6.55 C ATOM 1007 O TYR A 68 6.810 6.516 7.169 1.00 6.81 O ATOM 1008 CB TYR A 68 3.792 7.103 6.871 1.00 7.18 C ATOM 1009 CG TYR A 68 4.553 8.365 6.528 1.00 7.77 C ATOM 1010 CD1 TYR A 68 4.884 8.657 5.212 1.00 8.17 C ATOM 1011 CD2 TYR A 68 4.952 9.256 7.518 1.00 8.20 C ATOM 1012 CE1 TYR A 68 5.580 9.806 4.888 1.00 8.94 C ATOM 1013 CE2 TYR A 68 5.650 10.407 7.200 1.00 8.96 C ATOM 1014 CZ TYR A 68 5.935 10.700 5.911 1.00 9.31 C ATOM 1015 OH TYR A 68 6.662 11.818 5.566 1.00 10.22 O ATOM 0 H TYR A 68 3.130 4.848 7.788 1.00 6.89 H new ATOM 0 HA TYR A 68 4.819 5.755 5.558 1.00 7.01 H new ATOM 0 HB2 TYR A 68 2.871 7.080 6.289 1.00 7.18 H new ATOM 0 HB3 TYR A 68 3.504 7.141 7.922 1.00 7.18 H new ATOM 0 HD1 TYR A 68 4.592 7.974 4.428 1.00 8.17 H new ATOM 0 HD2 TYR A 68 4.713 9.046 8.550 1.00 8.20 H new ATOM 0 HE1 TYR A 68 5.847 10.013 3.862 1.00 8.94 H new ATOM 0 HE2 TYR A 68 5.969 11.076 7.986 1.00 8.96 H new ATOM 0 HH TYR A 68 6.840 12.353 6.368 1.00 10.22 H new ATOM 1025 N GLY A 69 5.912 4.852 8.392 1.00 6.15 N ATOM 1026 CA GLY A 69 7.074 4.705 9.243 1.00 6.07 C ATOM 1027 C GLY A 69 7.933 3.524 8.832 1.00 5.90 C ATOM 1028 O GLY A 69 8.421 2.771 9.678 1.00 5.61 O ATOM 0 H GLY A 69 5.151 4.206 8.602 1.00 6.15 H new ATOM 0 HA2 GLY A 69 7.669 5.617 9.205 1.00 6.07 H new ATOM 0 HA3 GLY A 69 6.753 4.577 10.277 1.00 6.07 H new ATOM 1032 N GLN A 70 8.119 3.355 7.532 1.00 6.45 N ATOM 1033 CA GLN A 70 8.891 2.239 7.014 1.00 6.69 C ATOM 1034 C GLN A 70 10.088 2.742 6.222 1.00 6.71 C ATOM 1035 O GLN A 70 9.929 3.381 5.190 1.00 7.25 O ATOM 1036 CB GLN A 70 8.023 1.361 6.107 1.00 7.70 C ATOM 1037 CG GLN A 70 6.724 0.869 6.739 1.00 8.32 C ATOM 1038 CD GLN A 70 6.916 -0.212 7.789 1.00 9.06 C ATOM 1039 OE1 GLN A 70 7.991 -0.138 8.557 1.00 9.52 O flip ATOM 1040 NE2 GLN A 70 6.078 -1.101 7.925 1.00 9.42 N flip ATOM 0 H GLN A 70 7.745 3.978 6.816 1.00 6.45 H new ATOM 0 HA GLN A 70 9.240 1.649 7.862 1.00 6.69 H new ATOM 0 HB2 GLN A 70 7.781 1.924 5.205 1.00 7.70 H new ATOM 0 HB3 GLN A 70 8.608 0.496 5.795 1.00 7.70 H new ATOM 0 HG2 GLN A 70 6.210 1.716 7.194 1.00 8.32 H new ATOM 0 HG3 GLN A 70 6.073 0.486 5.954 1.00 8.32 H new ATOM 0 HE21 GLN A 70 5.260 -1.129 7.316 1.00 9.42 H new ATOM 0 HE22 GLN A 70 6.200 -1.811 8.647 1.00 9.42 H new ATOM 1049 N LYS A 71 11.287 2.463 6.710 1.00 6.35 N ATOM 1050 CA LYS A 71 12.490 2.785 5.959 1.00 6.54 C ATOM 1051 C LYS A 71 13.393 1.549 5.850 1.00 6.34 C ATOM 1052 O LYS A 71 14.126 1.197 6.774 1.00 6.36 O ATOM 1053 CB LYS A 71 13.238 4.006 6.556 1.00 6.82 C ATOM 1054 CG LYS A 71 14.003 3.759 7.853 1.00 6.50 C ATOM 1055 CD LYS A 71 13.090 3.465 9.029 1.00 6.36 C ATOM 1056 CE LYS A 71 13.890 3.152 10.283 1.00 6.74 C ATOM 1057 NZ LYS A 71 14.853 4.235 10.630 1.00 6.51 N ATOM 0 H LYS A 71 11.452 2.019 7.613 1.00 6.35 H new ATOM 0 HA LYS A 71 12.195 3.076 4.951 1.00 6.54 H new ATOM 0 HB2 LYS A 71 13.940 4.376 5.809 1.00 6.82 H new ATOM 0 HB3 LYS A 71 12.512 4.800 6.732 1.00 6.82 H new ATOM 0 HG2 LYS A 71 14.687 2.922 7.712 1.00 6.50 H new ATOM 0 HG3 LYS A 71 14.612 4.633 8.082 1.00 6.50 H new ATOM 0 HD2 LYS A 71 12.442 4.322 9.213 1.00 6.36 H new ATOM 0 HD3 LYS A 71 12.443 2.622 8.788 1.00 6.36 H new ATOM 0 HE2 LYS A 71 13.206 2.997 11.117 1.00 6.74 H new ATOM 0 HE3 LYS A 71 14.434 2.218 10.140 1.00 6.74 H new ATOM 0 HZ1 LYS A 71 15.224 4.076 11.588 1.00 6.51 H new ATOM 0 HZ2 LYS A 71 15.639 4.232 9.949 1.00 6.51 H new ATOM 0 HZ3 LYS A 71 14.369 5.155 10.595 1.00 6.51 H new ATOM 1071 N PRO A 72 13.286 0.826 4.731 1.00 6.47 N ATOM 1072 CA PRO A 72 14.124 -0.338 4.443 1.00 6.58 C ATOM 1073 C PRO A 72 15.481 0.073 3.877 1.00 6.47 C ATOM 1074 O PRO A 72 16.413 -0.734 3.803 1.00 6.74 O ATOM 1075 CB PRO A 72 13.309 -1.111 3.388 1.00 7.14 C ATOM 1076 CG PRO A 72 12.013 -0.371 3.260 1.00 7.24 C ATOM 1077 CD PRO A 72 12.311 1.037 3.661 1.00 6.89 C ATOM 0 HA PRO A 72 14.345 -0.924 5.335 1.00 6.58 H new ATOM 0 HB2 PRO A 72 13.836 -1.147 2.434 1.00 7.14 H new ATOM 0 HB3 PRO A 72 13.143 -2.142 3.699 1.00 7.14 H new ATOM 0 HG2 PRO A 72 11.636 -0.416 2.238 1.00 7.24 H new ATOM 0 HG3 PRO A 72 11.248 -0.807 3.902 1.00 7.24 H new ATOM 0 HD2 PRO A 72 12.723 1.621 2.838 1.00 6.89 H new ATOM 0 HD3 PRO A 72 11.422 1.562 4.011 1.00 6.89 H new ATOM 1085 N GLU A 73 15.568 1.339 3.483 1.00 6.33 N ATOM 1086 CA GLU A 73 16.790 1.912 2.934 1.00 6.45 C ATOM 1087 C GLU A 73 17.840 2.087 4.019 1.00 6.01 C ATOM 1088 O GLU A 73 17.874 3.103 4.714 1.00 5.68 O ATOM 1089 CB GLU A 73 16.492 3.254 2.256 1.00 6.92 C ATOM 1090 CG GLU A 73 16.125 3.133 0.785 1.00 7.38 C ATOM 1091 CD GLU A 73 15.198 1.976 0.495 1.00 7.92 C ATOM 1092 OE1 GLU A 73 13.989 2.094 0.766 1.00 8.39 O ATOM 1093 OE2 GLU A 73 15.685 0.942 -0.015 1.00 8.11 O ATOM 0 H GLU A 73 14.791 1.998 3.536 1.00 6.33 H new ATOM 0 HA GLU A 73 17.185 1.223 2.187 1.00 6.45 H new ATOM 0 HB2 GLU A 73 15.675 3.744 2.785 1.00 6.92 H new ATOM 0 HB3 GLU A 73 17.365 3.900 2.351 1.00 6.92 H new ATOM 0 HG2 GLU A 73 15.653 4.059 0.458 1.00 7.38 H new ATOM 0 HG3 GLU A 73 17.036 3.016 0.199 1.00 7.38 H new ATOM 1100 N GLN A 74 18.669 1.071 4.174 1.00 6.31 N ATOM 1101 CA GLN A 74 19.739 1.092 5.157 1.00 6.22 C ATOM 1102 C GLN A 74 21.101 1.403 4.520 1.00 6.34 C ATOM 1103 O GLN A 74 21.813 2.281 5.003 1.00 6.32 O ATOM 1104 CB GLN A 74 19.794 -0.237 5.913 1.00 6.38 C ATOM 1105 CG GLN A 74 18.683 -0.404 6.942 1.00 6.83 C ATOM 1106 CD GLN A 74 18.789 0.599 8.076 1.00 7.20 C ATOM 1107 OE1 GLN A 74 18.217 1.690 8.019 1.00 7.16 O ATOM 1108 NE2 GLN A 74 19.527 0.238 9.112 1.00 7.82 N ATOM 0 H GLN A 74 18.621 0.212 3.626 1.00 6.31 H new ATOM 0 HA GLN A 74 19.519 1.894 5.861 1.00 6.22 H new ATOM 0 HB2 GLN A 74 19.738 -1.055 5.195 1.00 6.38 H new ATOM 0 HB3 GLN A 74 20.758 -0.319 6.416 1.00 6.38 H new ATOM 0 HG2 GLN A 74 17.717 -0.292 6.451 1.00 6.83 H new ATOM 0 HG3 GLN A 74 18.718 -1.414 7.350 1.00 6.83 H new ATOM 0 HE21 GLN A 74 19.984 -0.674 9.120 1.00 7.82 H new ATOM 0 HE22 GLN A 74 19.640 0.872 9.903 1.00 7.82 H new ATOM 1117 N PRO A 75 21.501 0.689 3.437 1.00 6.73 N ATOM 1118 CA PRO A 75 22.807 0.905 2.802 1.00 7.11 C ATOM 1119 C PRO A 75 22.982 2.324 2.264 1.00 7.12 C ATOM 1120 O PRO A 75 23.799 3.094 2.779 1.00 7.46 O ATOM 1121 CB PRO A 75 22.842 -0.113 1.655 1.00 7.79 C ATOM 1122 CG PRO A 75 21.803 -1.122 1.997 1.00 7.64 C ATOM 1123 CD PRO A 75 20.745 -0.382 2.760 1.00 7.09 C ATOM 0 HA PRO A 75 23.617 0.778 3.520 1.00 7.11 H new ATOM 0 HB2 PRO A 75 22.628 0.364 0.699 1.00 7.79 H new ATOM 0 HB3 PRO A 75 23.826 -0.575 1.568 1.00 7.79 H new ATOM 0 HG2 PRO A 75 21.389 -1.577 1.097 1.00 7.64 H new ATOM 0 HG3 PRO A 75 22.225 -1.929 2.597 1.00 7.64 H new ATOM 0 HD2 PRO A 75 19.980 0.023 2.097 1.00 7.09 H new ATOM 0 HD3 PRO A 75 20.237 -1.030 3.475 1.00 7.09 H new ATOM 1131 N SER A 76 22.210 2.682 1.245 1.00 7.00 N ATOM 1132 CA SER A 76 22.355 3.991 0.625 1.00 7.24 C ATOM 1133 C SER A 76 21.005 4.656 0.376 1.00 7.24 C ATOM 1134 O SER A 76 20.784 5.803 0.765 1.00 7.02 O ATOM 1135 CB SER A 76 23.111 3.869 -0.698 1.00 7.66 C ATOM 1136 OG SER A 76 24.355 3.213 -0.522 1.00 7.89 O ATOM 0 H SER A 76 21.486 2.092 0.835 1.00 7.00 H new ATOM 0 HA SER A 76 22.919 4.616 1.318 1.00 7.24 H new ATOM 0 HB2 SER A 76 22.505 3.317 -1.416 1.00 7.66 H new ATOM 0 HB3 SER A 76 23.277 4.861 -1.117 1.00 7.66 H new ATOM 0 HG SER A 76 24.815 3.148 -1.385 1.00 7.89 H new ATOM 1142 N GLY A 77 20.107 3.938 -0.282 1.00 7.81 N ATOM 1143 CA GLY A 77 18.863 4.529 -0.730 1.00 8.19 C ATOM 1144 C GLY A 77 19.006 5.093 -2.130 1.00 8.67 C ATOM 1145 O GLY A 77 18.269 4.721 -3.043 1.00 9.39 O ATOM 0 H GLY A 77 20.219 2.951 -0.515 1.00 7.81 H new ATOM 0 HA2 GLY A 77 18.073 3.778 -0.715 1.00 8.19 H new ATOM 0 HA3 GLY A 77 18.564 5.321 -0.043 1.00 8.19 H new ATOM 1149 N ALA A 78 19.977 5.984 -2.289 1.00 8.46 N ATOM 1150 CA ALA A 78 20.328 6.540 -3.586 1.00 9.08 C ATOM 1151 C ALA A 78 21.845 6.604 -3.715 1.00 9.03 C ATOM 1152 O ALA A 78 22.499 7.427 -3.070 1.00 8.98 O ATOM 1153 CB ALA A 78 19.715 7.920 -3.763 1.00 9.36 C ATOM 0 H ALA A 78 20.543 6.341 -1.519 1.00 8.46 H new ATOM 0 HA ALA A 78 19.930 5.896 -4.370 1.00 9.08 H new ATOM 0 HB1 ALA A 78 19.990 8.318 -4.740 1.00 9.36 H new ATOM 0 HB2 ALA A 78 18.630 7.848 -3.693 1.00 9.36 H new ATOM 0 HB3 ALA A 78 20.085 8.585 -2.983 1.00 9.36 H new ATOM 1159 N SER A 79 22.402 5.716 -4.523 1.00 9.25 N ATOM 1160 CA SER A 79 23.843 5.621 -4.665 1.00 9.45 C ATOM 1161 C SER A 79 24.362 6.678 -5.634 1.00 9.58 C ATOM 1162 O SER A 79 24.550 6.414 -6.822 1.00 9.90 O ATOM 1163 CB SER A 79 24.244 4.216 -5.135 1.00 9.59 C ATOM 1164 OG SER A 79 25.653 4.091 -5.274 1.00 9.83 O ATOM 0 H SER A 79 21.876 5.051 -5.090 1.00 9.25 H new ATOM 0 HA SER A 79 24.295 5.802 -3.690 1.00 9.45 H new ATOM 0 HB2 SER A 79 23.882 3.476 -4.421 1.00 9.59 H new ATOM 0 HB3 SER A 79 23.763 4.000 -6.089 1.00 9.59 H new ATOM 0 HG SER A 79 25.873 3.184 -5.573 1.00 9.83 H new ATOM 1170 N ALA A 80 24.552 7.886 -5.125 1.00 9.56 N ATOM 1171 CA ALA A 80 25.115 8.968 -5.923 1.00 9.88 C ATOM 1172 C ALA A 80 26.339 9.564 -5.240 1.00 9.90 C ATOM 1173 O ALA A 80 27.127 10.265 -5.866 1.00 10.21 O ATOM 1174 CB ALA A 80 24.070 10.045 -6.172 1.00 10.43 C ATOM 0 H ALA A 80 24.325 8.143 -4.164 1.00 9.56 H new ATOM 0 HA ALA A 80 25.426 8.556 -6.883 1.00 9.88 H new ATOM 0 HB1 ALA A 80 24.507 10.845 -6.769 1.00 10.43 H new ATOM 0 HB2 ALA A 80 23.224 9.614 -6.707 1.00 10.43 H new ATOM 0 HB3 ALA A 80 23.729 10.449 -5.219 1.00 10.43 H new ATOM 1180 N GLY A 81 26.501 9.264 -3.958 1.00 9.80 N ATOM 1181 CA GLY A 81 27.591 9.837 -3.190 1.00 10.04 C ATOM 1182 C GLY A 81 28.889 9.066 -3.322 1.00 10.12 C ATOM 1183 O GLY A 81 29.940 9.541 -2.896 1.00 10.38 O ATOM 0 H GLY A 81 25.895 8.632 -3.434 1.00 9.80 H new ATOM 0 HA2 GLY A 81 27.753 10.865 -3.514 1.00 10.04 H new ATOM 0 HA3 GLY A 81 27.305 9.875 -2.139 1.00 10.04 H new ATOM 1187 N HIS A 82 28.827 7.877 -3.907 1.00 10.09 N ATOM 1188 CA HIS A 82 30.027 7.064 -4.078 1.00 10.32 C ATOM 1189 C HIS A 82 30.445 7.039 -5.537 1.00 10.96 C ATOM 1190 O HIS A 82 31.451 7.636 -5.907 1.00 11.19 O ATOM 1191 CB HIS A 82 29.811 5.635 -3.567 1.00 10.38 C ATOM 1192 CG HIS A 82 29.593 5.546 -2.086 1.00 10.29 C ATOM 1193 ND1 HIS A 82 28.678 4.692 -1.511 1.00 10.66 N ATOM 1194 CD2 HIS A 82 30.182 6.211 -1.060 1.00 10.14 C ATOM 1195 CE1 HIS A 82 28.710 4.840 -0.197 1.00 10.73 C ATOM 1196 NE2 HIS A 82 29.613 5.754 0.103 1.00 10.43 N ATOM 0 H HIS A 82 27.970 7.457 -4.268 1.00 10.09 H new ATOM 0 HA HIS A 82 30.823 7.517 -3.487 1.00 10.32 H new ATOM 0 HB2 HIS A 82 28.950 5.203 -4.078 1.00 10.38 H new ATOM 0 HB3 HIS A 82 30.677 5.029 -3.834 1.00 10.38 H new ATOM 0 HD2 HIS A 82 30.955 6.961 -1.143 1.00 10.14 H new ATOM 0 HE1 HIS A 82 28.099 4.302 0.512 1.00 10.73 H new ATOM 0 HE2 HIS A 82 29.849 6.069 1.044 1.00 10.43 H new ATOM 1205 N ARG A 83 29.657 6.352 -6.363 1.00 11.41 N ATOM 1206 CA ARG A 83 29.931 6.246 -7.795 1.00 12.20 C ATOM 1207 C ARG A 83 31.263 5.522 -8.015 1.00 12.66 C ATOM 1208 O ARG A 83 31.782 4.878 -7.103 1.00 12.79 O ATOM 1209 CB ARG A 83 29.936 7.643 -8.434 1.00 12.48 C ATOM 1210 CG ARG A 83 28.634 8.401 -8.199 1.00 12.24 C ATOM 1211 CD ARG A 83 28.735 9.871 -8.575 1.00 12.18 C ATOM 1212 NE ARG A 83 28.754 10.083 -10.018 1.00 12.92 N ATOM 1213 CZ ARG A 83 28.159 11.112 -10.620 1.00 13.33 C ATOM 1214 NH1 ARG A 83 27.471 12.000 -9.906 1.00 13.12 N ATOM 1215 NH2 ARG A 83 28.258 11.258 -11.935 1.00 14.12 N ATOM 0 H ARG A 83 28.818 5.857 -6.062 1.00 11.41 H new ATOM 0 HA ARG A 83 29.146 5.663 -8.276 1.00 12.20 H new ATOM 0 HB2 ARG A 83 30.767 8.221 -8.028 1.00 12.48 H new ATOM 0 HB3 ARG A 83 30.108 7.547 -9.506 1.00 12.48 H new ATOM 0 HG2 ARG A 83 27.837 7.936 -8.780 1.00 12.24 H new ATOM 0 HG3 ARG A 83 28.354 8.317 -7.149 1.00 12.24 H new ATOM 0 HD2 ARG A 83 27.892 10.411 -8.144 1.00 12.18 H new ATOM 0 HD3 ARG A 83 29.640 10.292 -8.138 1.00 12.18 H new ATOM 0 HE ARG A 83 29.250 9.406 -10.598 1.00 12.92 H new ATOM 0 HH11 ARG A 83 27.398 11.894 -8.894 1.00 13.12 H new ATOM 0 HH12 ARG A 83 27.017 12.786 -10.371 1.00 13.12 H new ATOM 0 HH21 ARG A 83 28.789 10.583 -12.485 1.00 14.12 H new ATOM 0 HH22 ARG A 83 27.803 12.046 -12.396 1.00 14.12 H new ATOM 1229 N PHE A 84 31.806 5.608 -9.221 1.00 13.06 N ATOM 1230 CA PHE A 84 33.058 4.917 -9.538 1.00 13.61 C ATOM 1231 C PHE A 84 34.086 5.804 -10.260 1.00 14.10 C ATOM 1232 O PHE A 84 35.277 5.702 -9.965 1.00 14.50 O ATOM 1233 CB PHE A 84 32.787 3.650 -10.357 1.00 14.25 C ATOM 1234 CG PHE A 84 32.142 2.552 -9.558 1.00 14.22 C ATOM 1235 CD1 PHE A 84 32.863 1.882 -8.583 1.00 14.17 C ATOM 1236 CD2 PHE A 84 30.823 2.193 -9.779 1.00 14.39 C ATOM 1237 CE1 PHE A 84 32.277 0.873 -7.841 1.00 14.34 C ATOM 1238 CE2 PHE A 84 30.232 1.186 -9.040 1.00 14.57 C ATOM 1239 CZ PHE A 84 30.959 0.523 -8.070 1.00 14.57 C ATOM 0 H PHE A 84 31.408 6.143 -9.993 1.00 13.06 H new ATOM 0 HA PHE A 84 33.500 4.647 -8.579 1.00 13.61 H new ATOM 0 HB2 PHE A 84 32.144 3.902 -11.201 1.00 14.25 H new ATOM 0 HB3 PHE A 84 33.727 3.285 -10.770 1.00 14.25 H new ATOM 0 HD1 PHE A 84 33.893 2.150 -8.401 1.00 14.17 H new ATOM 0 HD2 PHE A 84 30.250 2.706 -10.537 1.00 14.39 H new ATOM 0 HE1 PHE A 84 32.849 0.358 -7.083 1.00 14.34 H new ATOM 0 HE2 PHE A 84 29.202 0.917 -9.221 1.00 14.57 H new ATOM 0 HZ PHE A 84 30.500 -0.266 -7.493 1.00 14.57 H new ATOM 1249 N PRO A 85 33.675 6.672 -11.228 1.00 14.25 N ATOM 1250 CA PRO A 85 34.614 7.545 -11.967 1.00 14.89 C ATOM 1251 C PRO A 85 35.480 8.442 -11.078 1.00 14.90 C ATOM 1252 O PRO A 85 36.386 9.115 -11.575 1.00 15.47 O ATOM 1253 CB PRO A 85 33.695 8.403 -12.835 1.00 14.92 C ATOM 1254 CG PRO A 85 32.505 7.546 -13.043 1.00 14.53 C ATOM 1255 CD PRO A 85 32.294 6.848 -11.733 1.00 14.02 C ATOM 0 HA PRO A 85 35.337 6.944 -12.519 1.00 14.89 H new ATOM 0 HB2 PRO A 85 33.433 9.337 -12.339 1.00 14.92 H new ATOM 0 HB3 PRO A 85 34.169 8.666 -13.781 1.00 14.92 H new ATOM 0 HG2 PRO A 85 31.634 8.141 -13.318 1.00 14.53 H new ATOM 0 HG3 PRO A 85 32.670 6.831 -13.849 1.00 14.53 H new ATOM 0 HD2 PRO A 85 31.687 7.443 -11.051 1.00 14.02 H new ATOM 0 HD3 PRO A 85 31.785 5.892 -11.861 1.00 14.02 H new ATOM 1263 N GLN A 86 35.200 8.466 -9.779 1.00 14.42 N ATOM 1264 CA GLN A 86 36.033 9.203 -8.838 1.00 14.58 C ATOM 1265 C GLN A 86 37.428 8.596 -8.797 1.00 14.98 C ATOM 1266 O GLN A 86 38.420 9.289 -8.569 1.00 15.51 O ATOM 1267 CB GLN A 86 35.439 9.178 -7.435 1.00 13.80 C ATOM 1268 CG GLN A 86 34.063 9.803 -7.324 1.00 13.24 C ATOM 1269 CD GLN A 86 33.566 9.806 -5.894 1.00 12.42 C ATOM 1270 OE1 GLN A 86 33.937 8.942 -5.099 1.00 12.34 O ATOM 1271 NE2 GLN A 86 32.734 10.773 -5.550 1.00 11.97 N ATOM 0 H GLN A 86 34.406 7.985 -9.356 1.00 14.42 H new ATOM 0 HA GLN A 86 36.084 10.238 -9.177 1.00 14.58 H new ATOM 0 HB2 GLN A 86 35.383 8.143 -7.096 1.00 13.80 H new ATOM 0 HB3 GLN A 86 36.116 9.699 -6.758 1.00 13.80 H new ATOM 0 HG2 GLN A 86 34.096 10.825 -7.701 1.00 13.24 H new ATOM 0 HG3 GLN A 86 33.362 9.254 -7.952 1.00 13.24 H new ATOM 0 HE21 GLN A 86 32.450 11.470 -6.238 1.00 11.97 H new ATOM 0 HE22 GLN A 86 32.376 10.822 -4.596 1.00 11.97 H new ATOM 1280 N GLY A 87 37.484 7.292 -9.028 1.00 14.85 N ATOM 1281 CA GLY A 87 38.751 6.586 -9.031 1.00 15.28 C ATOM 1282 C GLY A 87 38.904 5.680 -10.237 1.00 15.54 C ATOM 1283 O GLY A 87 40.020 5.421 -10.681 1.00 16.04 O ATOM 0 H GLY A 87 36.670 6.707 -9.215 1.00 14.85 H new ATOM 0 HA2 GLY A 87 39.567 7.309 -9.017 1.00 15.28 H new ATOM 0 HA3 GLY A 87 38.835 5.992 -8.121 1.00 15.28 H new ATOM 1287 N TYR A 88 37.772 5.200 -10.759 1.00 15.34 N ATOM 1288 CA TYR A 88 37.749 4.314 -11.925 1.00 15.74 C ATOM 1289 C TYR A 88 38.619 3.085 -11.673 1.00 16.38 C ATOM 1290 O TYR A 88 39.728 2.970 -12.203 1.00 16.65 O ATOM 1291 CB TYR A 88 38.206 5.066 -13.182 1.00 15.89 C ATOM 1292 CG TYR A 88 37.999 4.296 -14.465 1.00 16.18 C ATOM 1293 CD1 TYR A 88 36.724 3.961 -14.898 1.00 16.39 C ATOM 1294 CD2 TYR A 88 39.082 3.885 -15.229 1.00 16.39 C ATOM 1295 CE1 TYR A 88 36.533 3.249 -16.070 1.00 16.82 C ATOM 1296 CE2 TYR A 88 38.904 3.176 -16.399 1.00 16.82 C ATOM 1297 CZ TYR A 88 37.608 2.904 -16.838 1.00 17.05 C ATOM 1298 OH TYR A 88 37.454 2.143 -17.976 1.00 17.61 O ATOM 0 H TYR A 88 36.847 5.414 -10.386 1.00 15.34 H new ATOM 0 HA TYR A 88 36.725 3.978 -12.090 1.00 15.74 H new ATOM 0 HB2 TYR A 88 37.665 6.010 -13.245 1.00 15.89 H new ATOM 0 HB3 TYR A 88 39.264 5.310 -13.083 1.00 15.89 H new ATOM 0 HD1 TYR A 88 35.868 4.260 -14.312 1.00 16.39 H new ATOM 0 HD2 TYR A 88 40.083 4.125 -14.902 1.00 16.39 H new ATOM 0 HE1 TYR A 88 35.536 2.967 -16.376 1.00 16.82 H new ATOM 0 HE2 TYR A 88 39.757 2.836 -16.968 1.00 16.82 H new ATOM 0 HH TYR A 88 38.329 1.998 -18.394 1.00 17.61 H new ATOM 1308 N HIS A 89 38.109 2.180 -10.839 1.00 16.74 N ATOM 1309 CA HIS A 89 38.860 1.009 -10.386 1.00 17.45 C ATOM 1310 C HIS A 89 40.071 1.427 -9.556 1.00 17.29 C ATOM 1311 O HIS A 89 39.979 1.532 -8.334 1.00 17.63 O ATOM 1312 CB HIS A 89 39.299 0.116 -11.559 1.00 18.42 C ATOM 1313 CG HIS A 89 38.289 -0.917 -11.952 1.00 18.85 C ATOM 1314 ND1 HIS A 89 38.382 -2.230 -11.554 1.00 19.52 N ATOM 1315 CD2 HIS A 89 37.168 -0.835 -12.706 1.00 18.83 C ATOM 1316 CE1 HIS A 89 37.363 -2.912 -12.039 1.00 19.89 C ATOM 1317 NE2 HIS A 89 36.607 -2.088 -12.744 1.00 19.49 N ATOM 0 H HIS A 89 37.164 2.237 -10.458 1.00 16.74 H new ATOM 0 HA HIS A 89 38.189 0.423 -9.758 1.00 17.45 H new ATOM 0 HB2 HIS A 89 39.512 0.747 -12.422 1.00 18.42 H new ATOM 0 HB3 HIS A 89 40.230 -0.384 -11.292 1.00 18.42 H new ATOM 0 HD1 HIS A 89 39.125 -2.617 -10.973 1.00 19.52 H new ATOM 0 HD2 HIS A 89 36.785 0.052 -13.189 1.00 18.83 H new ATOM 0 HE1 HIS A 89 37.178 -3.965 -11.886 1.00 19.89 H new ATOM 1326 N SER A 90 41.192 1.695 -10.231 1.00 16.89 N ATOM 1327 CA SER A 90 42.452 2.020 -9.563 1.00 16.87 C ATOM 1328 C SER A 90 42.774 1.002 -8.466 1.00 17.40 C ATOM 1329 O SER A 90 43.365 1.338 -7.438 1.00 17.57 O ATOM 1330 CB SER A 90 42.396 3.442 -9.000 1.00 16.22 C ATOM 1331 OG SER A 90 42.419 4.395 -10.052 1.00 16.09 O ATOM 0 H SER A 90 41.251 1.693 -11.249 1.00 16.89 H new ATOM 0 HA SER A 90 43.256 1.971 -10.297 1.00 16.87 H new ATOM 0 HB2 SER A 90 41.491 3.569 -8.406 1.00 16.22 H new ATOM 0 HB3 SER A 90 43.241 3.608 -8.332 1.00 16.22 H new ATOM 0 HG SER A 90 41.503 4.575 -10.350 1.00 16.09 H new ATOM 1337 N ASP A 91 42.400 -0.250 -8.723 1.00 17.78 N ATOM 1338 CA ASP A 91 42.606 -1.339 -7.780 1.00 18.42 C ATOM 1339 C ASP A 91 44.070 -1.421 -7.384 1.00 18.69 C ATOM 1340 O ASP A 91 44.409 -1.332 -6.205 1.00 19.21 O ATOM 1341 CB ASP A 91 42.161 -2.664 -8.403 1.00 19.03 C ATOM 1342 CG ASP A 91 40.703 -2.651 -8.832 1.00 19.61 C ATOM 1343 OD1 ASP A 91 39.827 -2.443 -7.961 1.00 19.68 O ATOM 1344 OD2 ASP A 91 40.425 -2.845 -10.031 1.00 20.11 O ATOM 0 H ASP A 91 41.946 -0.534 -9.591 1.00 17.78 H new ATOM 0 HA ASP A 91 42.009 -1.147 -6.888 1.00 18.42 H new ATOM 0 HB2 ASP A 91 42.788 -2.883 -9.268 1.00 19.03 H new ATOM 0 HB3 ASP A 91 42.317 -3.469 -7.685 1.00 19.03 H new ATOM 1349 N LYS A 92 44.927 -1.600 -8.388 1.00 18.45 N ATOM 1350 CA LYS A 92 46.388 -1.590 -8.217 1.00 18.78 C ATOM 1351 C LYS A 92 46.901 -2.798 -7.431 1.00 19.35 C ATOM 1352 O LYS A 92 48.110 -2.993 -7.335 1.00 19.92 O ATOM 1353 CB LYS A 92 46.858 -0.293 -7.529 1.00 18.38 C ATOM 1354 CG LYS A 92 46.492 0.978 -8.284 1.00 18.13 C ATOM 1355 CD LYS A 92 47.147 1.016 -9.652 1.00 18.03 C ATOM 1356 CE LYS A 92 46.147 1.374 -10.740 1.00 17.98 C ATOM 1357 NZ LYS A 92 45.729 2.800 -10.687 1.00 17.78 N ATOM 0 H LYS A 92 44.630 -1.757 -9.351 1.00 18.45 H new ATOM 0 HA LYS A 92 46.808 -1.643 -9.221 1.00 18.78 H new ATOM 0 HB2 LYS A 92 46.425 -0.247 -6.530 1.00 18.38 H new ATOM 0 HB3 LYS A 92 47.940 -0.331 -7.406 1.00 18.38 H new ATOM 0 HG2 LYS A 92 45.409 1.038 -8.395 1.00 18.13 H new ATOM 0 HG3 LYS A 92 46.802 1.849 -7.706 1.00 18.13 H new ATOM 0 HD2 LYS A 92 47.958 1.744 -9.648 1.00 18.03 H new ATOM 0 HD3 LYS A 92 47.592 0.045 -9.871 1.00 18.03 H new ATOM 0 HE2 LYS A 92 46.586 1.164 -11.715 1.00 17.98 H new ATOM 0 HE3 LYS A 92 45.267 0.738 -10.643 1.00 17.98 H new ATOM 0 HZ1 LYS A 92 45.048 2.991 -11.449 1.00 17.78 H new ATOM 0 HZ2 LYS A 92 45.284 2.997 -9.768 1.00 17.78 H new ATOM 0 HZ3 LYS A 92 46.562 3.411 -10.807 1.00 17.78 H new ATOM 1371 N ARG A 93 45.986 -3.609 -6.906 1.00 19.31 N ATOM 1372 CA ARG A 93 46.343 -4.740 -6.053 1.00 19.91 C ATOM 1373 C ARG A 93 47.072 -4.246 -4.803 1.00 20.36 C ATOM 1374 O ARG A 93 48.299 -4.169 -4.767 1.00 20.53 O ATOM 1375 CB ARG A 93 47.199 -5.777 -6.804 1.00 20.42 C ATOM 1376 CG ARG A 93 46.444 -6.556 -7.879 1.00 20.25 C ATOM 1377 CD ARG A 93 46.230 -5.739 -9.145 1.00 20.24 C ATOM 1378 NE ARG A 93 45.452 -6.471 -10.145 1.00 20.81 N ATOM 1379 CZ ARG A 93 45.667 -6.404 -11.462 1.00 21.12 C ATOM 1380 NH1 ARG A 93 46.640 -5.635 -11.943 1.00 20.91 N ATOM 1381 NH2 ARG A 93 44.910 -7.111 -12.291 1.00 21.73 N ATOM 0 H ARG A 93 44.983 -3.502 -7.058 1.00 19.31 H new ATOM 0 HA ARG A 93 45.420 -5.237 -5.755 1.00 19.91 H new ATOM 0 HB2 ARG A 93 48.043 -5.267 -7.267 1.00 20.42 H new ATOM 0 HB3 ARG A 93 47.610 -6.483 -6.082 1.00 20.42 H new ATOM 0 HG2 ARG A 93 46.998 -7.462 -8.124 1.00 20.25 H new ATOM 0 HG3 ARG A 93 45.478 -6.870 -7.485 1.00 20.25 H new ATOM 0 HD2 ARG A 93 45.717 -4.811 -8.895 1.00 20.24 H new ATOM 0 HD3 ARG A 93 47.197 -5.465 -9.567 1.00 20.24 H new ATOM 0 HE ARG A 93 44.696 -7.072 -9.815 1.00 20.81 H new ATOM 0 HH11 ARG A 93 47.225 -5.094 -11.306 1.00 20.91 H new ATOM 0 HH12 ARG A 93 46.801 -5.586 -12.949 1.00 20.91 H new ATOM 0 HH21 ARG A 93 44.166 -7.704 -11.922 1.00 21.73 H new ATOM 0 HH22 ARG A 93 45.072 -7.062 -13.297 1.00 21.73 H new ATOM 1395 N ARG A 94 46.296 -3.892 -3.788 1.00 20.65 N ATOM 1396 CA ARG A 94 46.842 -3.324 -2.562 1.00 21.26 C ATOM 1397 C ARG A 94 47.466 -4.418 -1.706 1.00 22.10 C ATOM 1398 O ARG A 94 47.241 -5.604 -1.944 1.00 22.42 O ATOM 1399 CB ARG A 94 45.744 -2.604 -1.773 1.00 21.34 C ATOM 1400 CG ARG A 94 44.942 -1.617 -2.608 1.00 21.30 C ATOM 1401 CD ARG A 94 45.796 -0.465 -3.111 1.00 21.28 C ATOM 1402 NE ARG A 94 45.090 0.322 -4.120 1.00 21.49 N ATOM 1403 CZ ARG A 94 45.070 1.655 -4.160 1.00 21.68 C ATOM 1404 NH1 ARG A 94 45.736 2.368 -3.263 1.00 21.65 N ATOM 1405 NH2 ARG A 94 44.397 2.271 -5.120 1.00 21.99 N ATOM 0 H ARG A 94 45.281 -3.989 -3.789 1.00 20.65 H new ATOM 0 HA ARG A 94 47.613 -2.602 -2.829 1.00 21.26 H new ATOM 0 HB2 ARG A 94 45.066 -3.346 -1.351 1.00 21.34 H new ATOM 0 HB3 ARG A 94 46.198 -2.074 -0.936 1.00 21.34 H new ATOM 0 HG2 ARG A 94 44.500 -2.137 -3.458 1.00 21.30 H new ATOM 0 HG3 ARG A 94 44.119 -1.224 -2.012 1.00 21.30 H new ATOM 0 HD2 ARG A 94 46.072 0.177 -2.275 1.00 21.28 H new ATOM 0 HD3 ARG A 94 46.722 -0.854 -3.534 1.00 21.28 H new ATOM 0 HE ARG A 94 44.577 -0.183 -4.843 1.00 21.49 H new ATOM 0 HH11 ARG A 94 46.271 1.898 -2.533 1.00 21.65 H new ATOM 0 HH12 ARG A 94 45.714 3.387 -3.303 1.00 21.65 H new ATOM 0 HH21 ARG A 94 43.898 1.726 -5.823 1.00 21.99 H new ATOM 0 HH22 ARG A 94 44.378 3.290 -5.156 1.00 21.99 H new ATOM 1419 N LEU A 95 48.240 -4.025 -0.707 1.00 22.55 N ATOM 1420 CA LEU A 95 48.912 -4.987 0.154 1.00 23.45 C ATOM 1421 C LEU A 95 48.003 -5.387 1.308 1.00 24.13 C ATOM 1422 O LEU A 95 47.920 -4.683 2.313 1.00 24.69 O ATOM 1423 CB LEU A 95 50.232 -4.422 0.704 1.00 23.73 C ATOM 1424 CG LEU A 95 51.377 -4.274 -0.307 1.00 23.32 C ATOM 1425 CD1 LEU A 95 51.098 -3.173 -1.325 1.00 23.09 C ATOM 1426 CD2 LEU A 95 52.686 -4.004 0.421 1.00 23.46 C ATOM 0 H LEU A 95 48.419 -3.049 -0.472 1.00 22.55 H new ATOM 0 HA LEU A 95 49.142 -5.866 -0.448 1.00 23.45 H new ATOM 0 HB2 LEU A 95 50.031 -3.443 1.140 1.00 23.73 H new ATOM 0 HB3 LEU A 95 50.571 -5.068 1.514 1.00 23.73 H new ATOM 0 HG LEU A 95 51.458 -5.212 -0.856 1.00 23.32 H new ATOM 0 HD11 LEU A 95 51.933 -3.102 -2.022 1.00 23.09 H new ATOM 0 HD12 LEU A 95 50.186 -3.408 -1.874 1.00 23.09 H new ATOM 0 HD13 LEU A 95 50.975 -2.222 -0.807 1.00 23.09 H new ATOM 0 HD21 LEU A 95 53.492 -3.901 -0.306 1.00 23.46 H new ATOM 0 HD22 LEU A 95 52.598 -3.084 0.999 1.00 23.46 H new ATOM 0 HD23 LEU A 95 52.907 -4.834 1.092 1.00 23.46 H new ATOM 1438 N SER A 96 47.296 -6.495 1.141 1.00 24.14 N ATOM 1439 CA SER A 96 46.466 -7.040 2.203 1.00 24.84 C ATOM 1440 C SER A 96 47.346 -7.568 3.324 1.00 25.65 C ATOM 1441 O SER A 96 47.008 -7.467 4.503 1.00 26.06 O ATOM 1442 CB SER A 96 45.622 -8.185 1.655 1.00 25.35 C ATOM 1443 OG SER A 96 45.224 -7.925 0.316 1.00 25.01 O ATOM 0 H SER A 96 47.281 -7.036 0.276 1.00 24.14 H new ATOM 0 HA SER A 96 45.817 -6.253 2.586 1.00 24.84 H new ATOM 0 HB2 SER A 96 46.191 -9.114 1.696 1.00 25.35 H new ATOM 0 HB3 SER A 96 44.740 -8.324 2.280 1.00 25.35 H new ATOM 0 HG SER A 96 44.685 -8.673 -0.016 1.00 25.01 H new ATOM 1449 N LYS A 97 48.480 -8.134 2.932 1.00 25.95 N ATOM 1450 CA LYS A 97 49.403 -8.756 3.865 1.00 26.80 C ATOM 1451 C LYS A 97 50.268 -7.722 4.578 1.00 26.62 C ATOM 1452 O LYS A 97 50.486 -6.620 4.070 1.00 27.28 O ATOM 1453 CB LYS A 97 50.272 -9.792 3.135 1.00 27.31 C ATOM 1454 CG LYS A 97 50.829 -9.322 1.790 1.00 27.15 C ATOM 1455 CD LYS A 97 52.094 -8.480 1.929 1.00 27.42 C ATOM 1456 CE LYS A 97 53.204 -9.253 2.622 1.00 27.89 C ATOM 1457 NZ LYS A 97 54.541 -8.618 2.439 1.00 28.52 N ATOM 0 H LYS A 97 48.783 -8.174 1.959 1.00 25.95 H new ATOM 0 HA LYS A 97 48.817 -9.265 4.631 1.00 26.80 H new ATOM 0 HB2 LYS A 97 51.105 -10.068 3.782 1.00 27.31 H new ATOM 0 HB3 LYS A 97 49.681 -10.693 2.974 1.00 27.31 H new ATOM 0 HG2 LYS A 97 51.044 -10.191 1.169 1.00 27.15 H new ATOM 0 HG3 LYS A 97 50.067 -8.740 1.271 1.00 27.15 H new ATOM 0 HD2 LYS A 97 52.431 -8.163 0.942 1.00 27.42 H new ATOM 0 HD3 LYS A 97 51.870 -7.576 2.495 1.00 27.42 H new ATOM 0 HE2 LYS A 97 52.982 -9.325 3.687 1.00 27.89 H new ATOM 0 HE3 LYS A 97 53.232 -10.271 2.232 1.00 27.89 H new ATOM 0 HZ1 LYS A 97 55.264 -9.182 2.930 1.00 28.52 H new ATOM 0 HZ2 LYS A 97 54.768 -8.572 1.425 1.00 28.52 H new ATOM 0 HZ3 LYS A 97 54.526 -7.656 2.834 1.00 28.52 H new ATOM 1471 N ALA A 98 50.741 -8.115 5.756 1.00 25.81 N ATOM 1472 CA ALA A 98 51.598 -7.290 6.611 1.00 25.63 C ATOM 1473 C ALA A 98 50.801 -6.175 7.276 1.00 26.23 C ATOM 1474 O ALA A 98 50.746 -5.046 6.790 1.00 26.50 O ATOM 1475 CB ALA A 98 52.793 -6.734 5.841 1.00 25.39 C ATOM 0 H ALA A 98 50.538 -9.032 6.154 1.00 25.81 H new ATOM 0 HA ALA A 98 51.991 -7.934 7.398 1.00 25.63 H new ATOM 0 HB1 ALA A 98 53.405 -6.127 6.508 1.00 25.39 H new ATOM 0 HB2 ALA A 98 53.389 -7.558 5.450 1.00 25.39 H new ATOM 0 HB3 ALA A 98 52.439 -6.119 5.014 1.00 25.39 H new ATOM 1481 N SER A 99 50.143 -6.516 8.375 1.00 26.50 N ATOM 1482 CA SER A 99 49.378 -5.542 9.142 1.00 27.15 C ATOM 1483 C SER A 99 49.449 -5.840 10.640 1.00 27.64 C ATOM 1484 O SER A 99 49.048 -5.023 11.465 1.00 28.00 O ATOM 1485 CB SER A 99 47.920 -5.535 8.678 1.00 27.13 C ATOM 1486 OG SER A 99 47.830 -5.277 7.284 1.00 26.99 O ATOM 0 H SER A 99 50.123 -7.462 8.756 1.00 26.50 H new ATOM 0 HA SER A 99 49.815 -4.558 8.970 1.00 27.15 H new ATOM 0 HB2 SER A 99 47.458 -6.496 8.904 1.00 27.13 H new ATOM 0 HB3 SER A 99 47.363 -4.777 9.228 1.00 27.13 H new ATOM 0 HG SER A 99 46.889 -5.279 7.011 1.00 26.99 H new ATOM 1492 N SER A 100 49.975 -7.011 10.989 1.00 27.71 N ATOM 1493 CA SER A 100 50.081 -7.418 12.380 1.00 28.26 C ATOM 1494 C SER A 100 51.280 -6.748 13.050 1.00 28.98 C ATOM 1495 O SER A 100 52.406 -6.826 12.551 1.00 29.38 O ATOM 1496 CB SER A 100 50.200 -8.938 12.459 1.00 28.27 C ATOM 1497 OG SER A 100 51.104 -9.423 11.481 1.00 28.11 O ATOM 0 H SER A 100 50.335 -7.694 10.322 1.00 27.71 H new ATOM 0 HA SER A 100 49.183 -7.103 12.911 1.00 28.26 H new ATOM 0 HB2 SER A 100 50.541 -9.230 13.452 1.00 28.27 H new ATOM 0 HB3 SER A 100 49.220 -9.392 12.312 1.00 28.27 H new ATOM 0 HG SER A 100 51.878 -8.825 11.426 1.00 28.11 H new ATOM 1503 N LYS A 101 51.028 -6.086 14.174 1.00 29.21 N ATOM 1504 CA LYS A 101 52.069 -5.350 14.880 1.00 29.94 C ATOM 1505 C LYS A 101 52.641 -6.158 16.043 1.00 30.44 C ATOM 1506 O LYS A 101 53.831 -6.070 16.343 1.00 31.19 O ATOM 1507 CB LYS A 101 51.510 -4.026 15.389 1.00 30.31 C ATOM 1508 CG LYS A 101 51.103 -3.086 14.274 1.00 30.08 C ATOM 1509 CD LYS A 101 50.413 -1.854 14.813 1.00 30.22 C ATOM 1510 CE LYS A 101 50.109 -0.864 13.702 1.00 30.12 C ATOM 1511 NZ LYS A 101 51.351 -0.259 13.140 1.00 30.42 N ATOM 0 H LYS A 101 50.110 -6.044 14.616 1.00 29.21 H new ATOM 0 HA LYS A 101 52.881 -5.160 14.178 1.00 29.94 H new ATOM 0 HB2 LYS A 101 50.646 -4.223 16.024 1.00 30.31 H new ATOM 0 HB3 LYS A 101 52.259 -3.538 16.013 1.00 30.31 H new ATOM 0 HG2 LYS A 101 51.985 -2.791 13.705 1.00 30.08 H new ATOM 0 HG3 LYS A 101 50.437 -3.605 13.584 1.00 30.08 H new ATOM 0 HD2 LYS A 101 49.487 -2.141 15.311 1.00 30.22 H new ATOM 0 HD3 LYS A 101 51.045 -1.379 15.564 1.00 30.22 H new ATOM 0 HE2 LYS A 101 49.559 -1.368 12.907 1.00 30.12 H new ATOM 0 HE3 LYS A 101 49.463 -0.075 14.086 1.00 30.12 H new ATOM 0 HZ1 LYS A 101 51.103 0.570 12.563 1.00 30.42 H new ATOM 0 HZ2 LYS A 101 51.976 0.035 13.917 1.00 30.42 H new ATOM 0 HZ3 LYS A 101 51.841 -0.959 12.547 1.00 30.42 H new ATOM 1525 N ALA A 102 51.788 -6.945 16.691 1.00 30.08 N ATOM 1526 CA ALA A 102 52.201 -7.732 17.850 1.00 30.58 C ATOM 1527 C ALA A 102 53.183 -8.826 17.451 1.00 30.59 C ATOM 1528 O ALA A 102 52.846 -9.728 16.685 1.00 30.68 O ATOM 1529 CB ALA A 102 50.986 -8.332 18.541 1.00 30.57 C ATOM 0 H ALA A 102 50.807 -7.055 16.434 1.00 30.08 H new ATOM 0 HA ALA A 102 52.708 -7.066 18.548 1.00 30.58 H new ATOM 0 HB1 ALA A 102 51.309 -8.916 19.403 1.00 30.57 H new ATOM 0 HB2 ALA A 102 50.324 -7.532 18.872 1.00 30.57 H new ATOM 0 HB3 ALA A 102 50.453 -8.979 17.844 1.00 30.57 H new ATOM 1535 N ARG A 103 54.398 -8.736 17.973 1.00 30.57 N ATOM 1536 CA ARG A 103 55.429 -9.716 17.673 1.00 30.65 C ATOM 1537 C ARG A 103 55.288 -10.908 18.607 1.00 30.77 C ATOM 1538 O ARG A 103 55.187 -12.056 18.176 1.00 30.46 O ATOM 1539 CB ARG A 103 56.814 -9.091 17.834 1.00 31.34 C ATOM 1540 CG ARG A 103 57.919 -9.952 17.260 1.00 31.28 C ATOM 1541 CD ARG A 103 57.819 -10.004 15.749 1.00 31.10 C ATOM 1542 NE ARG A 103 58.723 -10.984 15.162 1.00 31.07 N ATOM 1543 CZ ARG A 103 59.064 -10.986 13.878 1.00 31.03 C ATOM 1544 NH1 ARG A 103 58.663 -9.998 13.082 1.00 31.01 N ATOM 1545 NH2 ARG A 103 59.823 -11.965 13.406 1.00 31.09 N ATOM 0 H ARG A 103 54.693 -7.993 18.607 1.00 30.57 H new ATOM 0 HA ARG A 103 55.313 -10.049 16.642 1.00 30.65 H new ATOM 0 HB2 ARG A 103 56.827 -8.118 17.344 1.00 31.34 H new ATOM 0 HB3 ARG A 103 57.008 -8.918 18.892 1.00 31.34 H new ATOM 0 HG2 ARG A 103 58.890 -9.552 17.553 1.00 31.28 H new ATOM 0 HG3 ARG A 103 57.853 -10.960 17.670 1.00 31.28 H new ATOM 0 HD2 ARG A 103 56.795 -10.244 15.464 1.00 31.10 H new ATOM 0 HD3 ARG A 103 58.041 -9.019 15.340 1.00 31.10 H new ATOM 0 HE ARG A 103 59.114 -11.705 15.768 1.00 31.07 H new ATOM 0 HH11 ARG A 103 58.094 -9.239 13.458 1.00 31.01 H new ATOM 0 HH12 ARG A 103 58.925 -9.999 12.096 1.00 31.01 H new ATOM 0 HH21 ARG A 103 60.140 -12.709 14.027 1.00 31.09 H new ATOM 0 HH22 ARG A 103 60.089 -11.974 12.421 1.00 31.09 H new ATOM 1559 N SER A 104 55.306 -10.605 19.893 1.00 31.30 N ATOM 1560 CA SER A 104 55.061 -11.584 20.942 1.00 31.63 C ATOM 1561 C SER A 104 54.420 -10.841 22.104 1.00 32.26 C ATOM 1562 O SER A 104 54.410 -11.294 23.249 1.00 32.63 O ATOM 1563 CB SER A 104 56.373 -12.250 21.377 1.00 31.49 C ATOM 1564 OG SER A 104 56.150 -13.274 22.335 1.00 31.60 O ATOM 0 H SER A 104 55.492 -9.665 20.243 1.00 31.30 H new ATOM 0 HA SER A 104 54.404 -12.377 20.585 1.00 31.63 H new ATOM 0 HB2 SER A 104 56.874 -12.670 20.505 1.00 31.49 H new ATOM 0 HB3 SER A 104 57.041 -11.498 21.797 1.00 31.49 H new ATOM 0 HG SER A 104 55.472 -12.978 22.978 1.00 31.60 H new ATOM 1570 N ASP A 105 53.878 -9.686 21.761 1.00 32.44 N ATOM 1571 CA ASP A 105 53.347 -8.750 22.731 1.00 33.10 C ATOM 1572 C ASP A 105 51.862 -8.993 22.929 1.00 33.71 C ATOM 1573 O ASP A 105 51.048 -8.624 22.083 1.00 33.79 O ATOM 1574 CB ASP A 105 53.577 -7.315 22.245 1.00 32.92 C ATOM 1575 CG ASP A 105 54.968 -7.121 21.669 1.00 33.34 C ATOM 1576 OD1 ASP A 105 55.181 -7.476 20.483 1.00 33.66 O ATOM 1577 OD2 ASP A 105 55.852 -6.623 22.393 1.00 33.43 O ATOM 0 H ASP A 105 53.794 -9.371 20.795 1.00 32.44 H new ATOM 0 HA ASP A 105 53.860 -8.895 23.682 1.00 33.10 H new ATOM 0 HB2 ASP A 105 52.834 -7.066 21.487 1.00 32.92 H new ATOM 0 HB3 ASP A 105 53.430 -6.624 23.075 1.00 32.92 H new ATOM 1582 N ASP A 106 51.519 -9.644 24.032 1.00 34.21 N ATOM 1583 CA ASP A 106 50.127 -9.940 24.348 1.00 34.91 C ATOM 1584 C ASP A 106 49.350 -8.646 24.561 1.00 35.10 C ATOM 1585 O ASP A 106 48.654 -8.169 23.662 1.00 35.16 O ATOM 1586 CB ASP A 106 50.027 -10.820 25.601 1.00 35.27 C ATOM 1587 CG ASP A 106 50.863 -12.081 25.510 1.00 35.62 C ATOM 1588 OD1 ASP A 106 52.079 -12.023 25.792 1.00 35.68 O ATOM 1589 OD2 ASP A 106 50.311 -13.136 25.141 1.00 35.89 O ATOM 0 H ASP A 106 52.188 -9.979 24.726 1.00 34.21 H new ATOM 0 HA ASP A 106 49.695 -10.484 23.508 1.00 34.91 H new ATOM 0 HB2 ASP A 106 50.344 -10.243 26.469 1.00 35.27 H new ATOM 0 HB3 ASP A 106 48.984 -11.093 25.764 1.00 35.27 H new ATOM 1594 N LEU A 107 49.473 -8.085 25.755 1.00 35.27 N ATOM 1595 CA LEU A 107 48.861 -6.800 26.065 1.00 35.52 C ATOM 1596 C LEU A 107 49.513 -6.201 27.304 1.00 35.58 C ATOM 1597 O LEU A 107 49.045 -5.198 27.840 1.00 35.79 O ATOM 1598 CB LEU A 107 47.340 -6.936 26.279 1.00 36.22 C ATOM 1599 CG LEU A 107 46.894 -7.699 27.537 1.00 36.57 C ATOM 1600 CD1 LEU A 107 45.422 -7.442 27.804 1.00 36.81 C ATOM 1601 CD2 LEU A 107 47.135 -9.196 27.401 1.00 36.78 C ATOM 0 H LEU A 107 49.993 -8.501 26.528 1.00 35.27 H new ATOM 0 HA LEU A 107 49.020 -6.137 25.215 1.00 35.52 H new ATOM 0 HB2 LEU A 107 46.909 -5.936 26.315 1.00 36.22 H new ATOM 0 HB3 LEU A 107 46.915 -7.435 25.408 1.00 36.22 H new ATOM 0 HG LEU A 107 47.490 -7.336 28.374 1.00 36.57 H new ATOM 0 HD11 LEU A 107 45.114 -7.986 28.697 1.00 36.81 H new ATOM 0 HD12 LEU A 107 45.261 -6.375 27.956 1.00 36.81 H new ATOM 0 HD13 LEU A 107 44.833 -7.780 26.952 1.00 36.81 H new ATOM 0 HD21 LEU A 107 46.807 -9.701 28.310 1.00 36.78 H new ATOM 0 HD22 LEU A 107 46.572 -9.579 26.550 1.00 36.78 H new ATOM 0 HD23 LEU A 107 48.198 -9.381 27.246 1.00 36.78 H new ATOM 1613 N SER A 108 50.609 -6.816 27.740 1.00 35.45 N ATOM 1614 CA SER A 108 51.297 -6.394 28.955 1.00 35.56 C ATOM 1615 C SER A 108 52.655 -5.777 28.620 1.00 34.99 C ATOM 1616 O SER A 108 53.471 -5.511 29.508 1.00 35.21 O ATOM 1617 CB SER A 108 51.482 -7.596 29.886 1.00 35.92 C ATOM 1618 OG SER A 108 50.267 -8.313 30.038 1.00 36.22 O ATOM 0 H SER A 108 51.040 -7.611 27.268 1.00 35.45 H new ATOM 0 HA SER A 108 50.691 -5.638 29.456 1.00 35.56 H new ATOM 0 HB2 SER A 108 52.250 -8.257 29.485 1.00 35.92 H new ATOM 0 HB3 SER A 108 51.832 -7.255 30.861 1.00 35.92 H new ATOM 0 HG SER A 108 50.410 -9.077 30.635 1.00 36.22 H new ATOM 1624 N VAL A 109 52.886 -5.544 27.335 1.00 34.34 N ATOM 1625 CA VAL A 109 54.140 -4.974 26.874 1.00 33.84 C ATOM 1626 C VAL A 109 53.885 -3.609 26.255 1.00 33.57 C ATOM 1627 O VAL A 109 53.474 -3.555 25.078 1.00 33.71 O ATOM 1628 CB VAL A 109 54.852 -5.885 25.846 1.00 33.11 C ATOM 1629 CG1 VAL A 109 56.201 -5.292 25.454 1.00 32.97 C ATOM 1630 CG2 VAL A 109 55.016 -7.296 26.400 1.00 33.19 C ATOM 1631 OXT VAL A 109 54.082 -2.597 26.952 1.00 33.28 O ATOM 0 H VAL A 109 52.216 -5.743 26.592 1.00 34.34 H new ATOM 0 HA VAL A 109 54.795 -4.878 27.740 1.00 33.84 H new ATOM 0 HB VAL A 109 54.234 -5.946 24.950 1.00 33.11 H new ATOM 0 HG11 VAL A 109 56.689 -5.945 24.730 1.00 32.97 H new ATOM 0 HG12 VAL A 109 56.051 -4.307 25.011 1.00 32.97 H new ATOM 0 HG13 VAL A 109 56.829 -5.199 26.340 1.00 32.97 H new ATOM 0 HG21 VAL A 109 55.519 -7.921 25.662 1.00 33.19 H new ATOM 0 HG22 VAL A 109 55.612 -7.262 27.312 1.00 33.19 H new ATOM 0 HG23 VAL A 109 54.035 -7.716 26.623 1.00 33.19 H new TER 1641 VAL A 109